methyl 4-amino-3-(3,5-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-amino-3-(3,5-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
methyl 4-amino-3-(3,5-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | K286-4341 |
| Compound Name: | methyl 4-amino-3-(3,5-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 294.39 |
| Molecular Formula: | C13 H14 N2 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(=C(C(=O)OC)SC1=S)N |
| Stereo: | ACHIRAL |
| logP: | 3.1059 |
| logD: | 3.1059 |
| logSw: | -3.0984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.289 |
| InChI Key: | IPHVJTHTNKKORH-UHFFFAOYSA-N |