1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethan-1-one
Structure Info
- Chemspace ID
- CSSB00000856952 (In-Stock Building Blocks)
- CAS
- 896729-58-1, 447406-53-3
- MFCD
- MFCD13332367
- IUPAC Name
- 1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethan-1-one
- Mol formula
- C13H10F3NOS
- Mol weight
- 285 Da
- Catalog Number(s)
- 167150, 8R-0816, AA00IR2Z, AGN-PC-0OM6HA, AGNPC-0OM6HA, AI74807, BBV-32634720, BD00892196, CS-0274728, CSC000856952, CSCR01419085411, HY-W212163, LN04657063, M162735, OFC896729581, PB802667120, SEL10481379, ST00ISMJ, TX00ISBF, WKB72958, Y3476060, Z802589652, Z840916396, a6_15145_47665, s_43_1943970_87507, s_43____1943970____87507
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.36
- Heavy atoms count
- 19
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.23
- Polar surface area (Å)
- 30
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
![Chemical structure of 1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethan-1-one (C13H10F3NOS) - CSSB00000856952](/st/structure/200/cb2f068ead24ca8a5edb9e0de6d2c0b3/CC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528S1%2529C1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png "C13H10F3NOS")
- Zoom the structure
- CSSB00000856952
Items Overall 5 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 500 mg | 566.50 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 1 mg | 221.10 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 5 mg | 235.40 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 264.00 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 500 mg | 792.00 | |
Description: 1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}-1-ethanone; CAS: 896729-58-1 | ||||||
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Substructure Analogs
![Chemical structure of 3-(dimethylamino)-1-{4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}prop-2-en-1-one - CSSB02125604953](/st/structure/200/cf6cd00c13e011fb6bcdf66e1c1c814a/CN%2528C%2529C%253DCC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528S1%2529C1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
Similarity Analogs
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![Chemical structure of 1-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethan-1-one - CSSB00000819105](/st/structure/200/6515285c655ace9bdcc0bfd2233e895a/CC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528S1%2529C1%253DCC%253DC%2528C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-5-yl)ethan-1-one - CSSB00025735296](/st/structure/200/7216d9bae5a54cb8f8d0e10f33d30f11/CC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528NC2%253DCC%253DCC%2528%253DC2%2529C%2528F%2529%2528F%2529F%2529S1.png)
![Chemical structure of 1-{2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethan-1-one - CSSB00001192703](/st/structure/200/022596c1ba92db94dc2a3c4ba5085a39/CC%2528%253DO%2529C1%253DCSC%2528%253DN1%2529C1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one - CSSB00000169251](/st/structure/200/82724aea6ef16433a1d547a5ceb350b6/CC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528S1%2529C1%253DCC%253DCC%2528F%2529%253DC1.png)
![Chemical structure of 1-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethan-1-one - CSSB00000217356](/st/structure/200/1e7005a36a1778f870b23ebb90312967/CC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528S1%2529C1%253DCC%253DCC%2528C%2529%253DC1.png)
![Chemical structure of ethyl 4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate - CSSB00020610767](/st/structure/200/de68dc7e9a84e3e86ac39951e81b9d06/CCOC%2528%253DO%2529C1%253DC%2528C%2529N%253DC%2528S1%2529C1%253DCC%253DCC%2528%253DC1%2529C%2528F%2529%2528F%2529F.png)
