N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,3-thiazole-4-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | L637-0240 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C21 H22 N4 O S2 |
| Smiles: | CSc1ccc(CNC(c2csc(c3ccnc(c3)N3CCCC3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0276 |
| logD: | 5.0246 |
| logSw: | -4.6778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.715 |
| InChI Key: | OTFXIBMBXCWTIZ-UHFFFAOYSA-N |