N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C857-0216 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C21 H25 N5 O S2 |
| Smiles: | CSc1ccc(CCNC(C2CCN(CC2)c2nnc(n3cccc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8055 |
| logD: | 3.8055 |
| logSw: | -3.7962 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.065 |
| InChI Key: | PFPCRPDGIWIPTH-UHFFFAOYSA-N |