N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
Chemical Structure Depiction of
N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
Compound characteristics
| Compound ID: | Y020-1102 |
| Compound Name: | N-(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C16 H15 N7 S2 |
| Smiles: | Cc1cc(C)nc(Nc2nc(CSc3nc4ccccc4s3)[nH]n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0347 |
| logD: | 3.4938 |
| logSw: | -4.0331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.46 |
| InChI Key: | YDUDOCKHEOWTNE-UHFFFAOYSA-N |