5-[(2-carbamothioylhydrazinylidene)methyl]-2-oxo-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
5-[(2-carbamothioylhydrazinylidene)methyl]-2-oxo-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide
5-[(2-carbamothioylhydrazinylidene)methyl]-2-oxo-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 5328-0030 |
| Compound Name: | 5-[(2-carbamothioylhydrazinylidene)methyl]-2-oxo-4-[4-(pyridin-4-yl)pyridin-1-ium-1-yl]-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C15 H12 N6 O S2 |
| Smiles: | C(\C1=C([N-]C(=O)S1)[n+]1ccc(cc1)c1ccncc1)=N/NC(N)=S |
| Stereo: | ACHIRAL |
| logP: | 2.3299 |
| logD: | 2.3245 |
| logSw: | -2.7743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.414 |
| InChI Key: | RSZLWAVOHXMYMF-UHFFFAOYSA-O |