2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Compound characteristics
| Compound ID: | C726-2826 |
| Compound Name: | 2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C19 H21 N5 O S2 |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)SC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.88 |
| logD: | 4.72 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.01 |
| InChI Key: | QTMRJEOFFMVNHL-UHFFFAOYSA-N |