1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane
Structure Info
- Chemspace ID
- CSSB00000710027 (In-Stock Building Blocks)
- CAS
- 946409-45-6
- MFCD
- MFCD28023727, MFCD28023727
- IUPAC Name
- 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane
- Mol formula
- C8H11F3N4S
- Mol weight
- 252 Da
- Catalog Number(s)
- A1047497, AG01AV4U, AR01AVTU, AV86326, BB4LS-EN300-160513, BBLS00000710027, BBV-51626049, BD00989726, CSC000710027, CSCR00006531322, EN300-160513, ST01AWLM, T901220, TX01AWAI, WMB40945, Y3173682, Z1733812471, Z1836338671, ZXC396045, bbls00000710027, s_270166_9043582_16817530, s_270166____9043582____16817530
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.32
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 41
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane (C8H11F3N4S) - CSSB00000710027](/st/structure/200/a23d50872bf5b6f8b2586dd7ee790334/FC%2528F%2529%2528F%2529C1%253DNN%253DC%2528S1%2529N1CCCNCC1.png "C8H11F3N4S")
- Zoom the structure
- CSSB00000710027
Items Overall 17 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 182.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 272.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 389.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 612.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 264.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 368.50 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 503.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 763.40 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 962.50 | |
Description: 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane; CAS: 946409-45-6 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 182.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 272.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 389.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 612.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 785.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,539.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,277.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,376.00 | |
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Substructure Analogs
![Chemical structure of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane hydrochloride - CSSB00000716463](/st/structure/200/937536889bc511c639654ef72930a784/Cl.FC%2528F%2529%2528F%2529C1%253DNN%253DC%2528S1%2529N1CCCNCC1.png)
Similarity Analogs
![Chemical structure of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine - CSSB00000216297](/st/structure/200/8998885a32be69b4dd3fb583e46130a9/FC%2528F%2529%2528F%2529C1%253DNN%253DC%2528S1%2529N1CCNCC1.png)
![Chemical structure of 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride - CSSB00000708102](/st/structure/200/4080c363180405ce90b2b759e9bba7c3/Cl.FC%2528F%2529%2528F%2529C1%253DNN%253DC%2528S1%2529N1CCNCC1.png)
![Chemical structure of 4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl chloride - CSSB21224771617](/st/structure/200/d876275498ae8cffe81d2c5ffb0cc629/FC%2528F%2529%2528F%2529C1%253DNN%253DC%2528S1%2529N1CCN%2528CC1%2529C%2528Cl%2529%253DO.png)
