2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1196 |
| Compound Name: | 2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C18 H19 N5 O S2 |
| Smiles: | CSc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.55 |
| logD: | 4.39 |
| logSw: | -5.37 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.85 |
| InChI Key: | CBDOBIGETGSSPJ-UHFFFAOYSA-N |