N-[2-(cyanomethyl)-4-(thiophen-2-yl)-1,3-thiazol-5-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[2-(cyanomethyl)-4-(thiophen-2-yl)-1,3-thiazol-5-yl]-4-methylbenzamide
N-[2-(cyanomethyl)-4-(thiophen-2-yl)-1,3-thiazol-5-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | Y070-1254 |
| Compound Name: | N-[2-(cyanomethyl)-4-(thiophen-2-yl)-1,3-thiazol-5-yl]-4-methylbenzamide |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C17 H13 N3 O S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1c(c2cccs2)nc(CC#N)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8279 |
| logD: | 3.8227 |
| logSw: | -3.9665 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.615 |
| InChI Key: | OVQZUJHGJWAFQW-UHFFFAOYSA-N |