5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0499 |
| Compound Name: | 5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 357.88 |
| Molecular Formula: | C13 H16 Cl N5 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1nnc(C(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1498 |
| logD: | 2.3006 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.46 |
| InChI Key: | LJYZUPBTSSQHMY-UHFFFAOYSA-N |