5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | 2106-0245 |
| Compound Name: | 5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 236.25 |
| Molecular Formula: | C9 H8 N4 O2 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)c1nnc(N)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.5017 |
| logD: | 1.5017 |
| logSw: | -2.0351 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.146 |
| InChI Key: | IVPDFKYKTMICSK-UHFFFAOYSA-N |