2-cyano-3-(4-fluorophenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-fluorophenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-fluorophenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0171 |
| Compound Name: | 2-cyano-3-(4-fluorophenyl)-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 320.36 |
| Molecular Formula: | C13 H9 F N4 O S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)F)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 2.87 |
| logSw: | -4.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 173.52 |
| InChI Key: | HDFYEFKHEVOBDW-UHFFFAOYSA-N |