TL;DR: 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one (CAS 118050-07-0) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.04968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-4-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione
Also Known As: 3-ETHYL-5-(((4-METHOXYPHENYL)AMINO)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, 3-ethyl-4-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1,3-thiazole-2-thione, 3-ethyl-4-hydroxy-5-[(4-methoxyphenyl)iminomethyl]thiazole-2-thione, (5E)-3-ethyl-5-[(4-methoxyanilino)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-ethyl-5-[(4-methoxyanilino)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C13H14N2O2S2 |
| Molecular Weight | 294.04968 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.04968 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | CCN1C(=C(SC1=S)C=NC2=CC=C(C=C2)OC)O |
| InChIKey | CDTXFVTTXZMRJK-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one is 118050-07-0.
The molecular formula of 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one is C13H14N2O2S2.
The molecular weight of 3-Ethyl-5-(((4-methoxyphenyl)amino)methylene)-2-thioxo-1,3-thiazolidin-4-one is 294.04968 g/mol.
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