2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0381 |
| Compound Name: | 2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C17 H17 N5 O S2 |
| Smiles: | CSc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 4.09 |
| logSw: | -5.32 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 186.78 |
| InChI Key: | NTSOYBBWFMWYFH-UHFFFAOYSA-N |