N-(2-methylphenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1180 |
| Compound Name: | N-(2-methylphenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C18 H20 N6 O2 S2 |
| Smiles: | Cc1ccccc1NC(c1nnc(CSCC(NCc2c[nH]nc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0637 |
| logD: | 2.0636 |
| logSw: | -2.4754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.099 |
| InChI Key: | DTFODTXOIRUANG-UHFFFAOYSA-N |