2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0142 |
| Compound Name: | 2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C18 H20 N6 O S |
| Smiles: | CN(C)c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.62 |
| logD: | 3.46 |
| logSw: | -4.55 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.48 |
| InChI Key: | YHOXVWKEUUKGSF-UHFFFAOYSA-N |