2-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-5-(methylsulfanyl)-1,3,4-thiadiazole
Chemical Structure Depiction of
2-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-5-(methylsulfanyl)-1,3,4-thiadiazole
2-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-5-(methylsulfanyl)-1,3,4-thiadiazole
Compound characteristics
| Compound ID: | 5696-0041 |
| Compound Name: | 2-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-5-(methylsulfanyl)-1,3,4-thiadiazole |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C9 H11 N5 O2 S3 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCSc1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.9174 |
| logD: | 1.9173 |
| logSw: | -1.9553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.893 |
| InChI Key: | JKCHOBOTTUKVAQ-UHFFFAOYSA-N |