5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0631 |
| Compound Name: | 5-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 355.87 |
| Molecular Formula: | C13 H14 Cl N5 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1nnc(C(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0755 |
| logD: | 2.2264 |
| logSw: | -4.1907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.46 |
| InChI Key: | OWVPJQAXEJWJAG-UHFFFAOYSA-N |