TL;DR: (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone (CAS 1321967-33-2) is a chemical compound with molecular formula C17H14N2O5S2 and molecular weight 390.03442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(2-methoxyethyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone, (5Z)-3-(2-methoxyethyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C17H14N2O5S2 |
| Molecular Weight | 390.03442 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.03442 Da |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
| SMILES | COCCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/SC1=S |
| InChIKey | KBHQKUYHZSGTNT-GDNBJRDFSA-N |
The XLogP value of 3.4 indicates that (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone is 1321967-33-2.
The molecular formula of (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone is C17H14N2O5S2.
The molecular weight of (5E)-3-(2-Methoxyethyl)-5-[[5-(3-nitrophenyl)-2-furanyl]methylene]-2-thioxo-4-thiazolidinone is 390.03442 g/mol.
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