methyl 4-amino-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-amino-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
methyl 4-amino-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | K286-4346 |
| Compound Name: | methyl 4-amino-3-[4-(propan-2-yl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 308.42 |
| Molecular Formula: | C14 H16 N2 O2 S2 |
| Smiles: | CC(C)c1ccc(cc1)N1C(=C(C(=O)OC)SC1=S)N |
| Stereo: | ACHIRAL |
| logP: | 3.4088 |
| logD: | 3.4088 |
| logSw: | -3.7095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.289 |
| InChI Key: | XNQUAAYJKNBKKG-UHFFFAOYSA-N |