2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0530 |
| Compound Name: | 2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 348.46 |
| Molecular Formula: | C14 H12 N4 O S3 |
| Smiles: | CSc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 3.56 |
| logSw: | -5.22 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.91 |
| InChI Key: | MJMGYNQIPCOOLZ-UHFFFAOYSA-N |