N-[3-(methylsulfanyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C857-0096 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C19 H21 N5 O S2 |
| Smiles: | CSc1cccc(c1)NC(C1CCN(CC1)c1nnc(n2cccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6848 |
| logD: | 3.6847 |
| logSw: | -3.8134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.902 |
| InChI Key: | AEUXKVVPSJVQOU-UHFFFAOYSA-N |