2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00000695846 (In-Stock Building Blocks)
- CAS
- 1216181-04-2, 1354950-03-0
- MFCD
- MFCD14539664, MFCD14539664
- IUPAC Name
- 2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
- Mol formula
- C12H11NO2S
- Mol weight
- 233 Da
- Catalog Number(s)
- 1513576, A1028866, AG01A3YS, AR01A4NS, AV51116, B400735, BB4LS-EN300-124040, BBLS00000695846, BBV-34178665, BD00983841, BVV-820779800, CS-0225487, CSC000695846, EN300-124040, G51279, HTS061145, HY-W168125, LN04843878, PB1696169089, PBMR319936, RYB18104, ST01A5FK, TX01A54G, Y3133374, Z975895452, ZXC339303, bbls00000695846
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.15
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of 2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid (C12H11NO2S) - CSSB00000695846](/st/structure/200/c8c74db1d28a91319388dba209af9d89/CC1%253DCC%253DC%2528CC2%253DNC%2528%253DCS2%2529C%2528O%2529%253DO%2529C%253DC1.png "C12H11NO2S")
- Zoom the structure
- CSSB00000695846
Items Overall 36 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 44.58 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 60.32 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 82.46 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 105.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 133.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 84.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 124.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 178.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 331.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 442.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 866.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 1,280.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 1,900.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 84.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 124.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 178.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 331.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 442.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 866.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 5 g | 1,280.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 1 g | 442.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 2.5 g | 867.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 5 g | 1,280.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 10 g | 1,900.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 44.58 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 60.32 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 82.46 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 105.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 133.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 150.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 196.90 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 259.60 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 436.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 565.40 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 1,057.10 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 5 g | 1,535.60 | |
Description: 2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid; CAS: 1216181-04-2 | ||||||
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Substructure Analogs
![Chemical structure of methyl 2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylate - CSSB00006414445](/st/structure/200/d68daebc04207e0a3519347844e2a77a/COC%2528%253DO%2529C1%253DCSC%2528CC2%253DCC%253DC%2528C%2529C%253DC2%2529%253DN1.png)
![Chemical structure of 2-[(4-cyanophenyl)methyl]-1,3-thiazole-4-carboxylic acid - CSSB03562168425](/st/structure/200/9dd6854d12ed42ec16fa85e3e28d038d/OC%2528%253DO%2529c1csc%2528Cc2ccc%2528C%2523N%2529cc2%2529n1.png)
![Chemical structure of ethyl 2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylate - CSSB00001746649](/st/structure/200/e8914e8c3d2a9a953542ae9702174f22/CCOC%2528%253DO%2529C1%253DCSC%2528CC2%253DCC%253DC%2528C%2529C%253DC2%2529%253DN1.png)
Similarity Analogs
![Chemical structure of 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid - CSSB00000750103](/st/structure/200/857c044692f072a00a7183bd24a23514/OC%2528%253DO%2529C1%253DCSC%2528CC2%253DCC%253DC%2528F%2529C%253DC2%2529%253DN1.png)
![Chemical structure of 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid - CSSB00011264437](/st/structure/200/b7968a904d5a4743fa8ac5f4b2632363/OC%2528%253DO%2529C1%253DCSC%2528CC2%253DCC%253DC%2528Br%2529C%253DC2%2529%253DN1.png)
![Chemical structure of 2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid - CSSB00005519829](/st/structure/200/df3ea1d209b0227ccb7795e8daeaa4a9/COC1%253DCC%253DC%2528CC2%253DNC%2528%253DCS2%2529C%2528O%2529%253DO%2529C%253DC1.png)
![Chemical structure of 2-[(4-aminophenyl)methyl]-1,3-thiazole-4-carboxylic acid - CSSB00000700310](/st/structure/200/b9a44f4db06241f287a22d3f156c7dbb/NC1%253DCC%253DC%2528CC2%253DNC%2528%253DCS2%2529C%2528O%2529%253DO%2529C%253DC1.png)
![Chemical structure of 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid - CSSB00000738803](/st/structure/200/5b9f606a796a94f20d19074865191f41/OC%2528%253DO%2529C1%253DCSC%2528CC2%253DCC%253DC%2528Cl%2529C%253DC2%2529%253DN1.png)
