TL;DR: (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one (CAS 1192741-50-6) is a chemical compound with molecular formula C14H22N2OS2 and molecular weight 298.11737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,3-dimethylcyclohexyl)iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
Also Known As: (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one, 5-[[(2,3-dimethylcyclohexyl)amino]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one, (E)-5-(((2,3-dimethylcyclohexyl)amino)methylene)-3-ethyl-2-thioxothiazolidin-4-one, 5-[1-(2,3-Dimethyl-cyclohexylamino)-meth-(E)-ylidene]-3-ethyl-2-thioxo-thiazolidin-4-one, 5-{[(2,3-dimethylcyclohexyl)amino]methylene}-3-ethyl-2-thioxo-1,3-thiazolidin- 4-one
| Molecular Formula | C14H22N2OS2 |
| Molecular Weight | 298.11737 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.11737 Da |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
| SMILES | CCN1C(=C(SC1=S)C=NC2CCCC(C2C)C)O |
| InChIKey | RNSOBCIFXZCEPX-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is 1192741-50-6.
The molecular formula of (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is C14H22N2OS2.
The molecular weight of (5E)-5-{[(2,3-dimethylcyclohexyl)amino]methylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one is 298.11737 g/mol.
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