5-chloro-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0444 |
| Compound Name: | 5-chloro-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 393.89 |
| Molecular Formula: | C11 H12 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8344 |
| logD: | 1.2082 |
| logSw: | -3.4728 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.685 |
| InChI Key: | RQGXLJFWIGASEA-UHFFFAOYSA-N |