2-cyano-3-(4-isopropylphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-isopropylphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-isopropylphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0176 |
| Compound Name: | 2-cyano-3-(4-isopropylphenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 344.46 |
| Molecular Formula: | C16 H16 N4 O S2 |
| Smiles: | CC(C)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.85 |
| logD: | 4.18 |
| logSw: | -5.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.36 |
| InChI Key: | LRKMKGZOYOXNNE-UHFFFAOYSA-N |