TL;DR: 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione (CAS 1103723-39-2) is a chemical compound with molecular formula C14H8N2O5S and molecular weight 316.01538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: BAS 00200750, 2,4-Thiazolidinedione, 5-[[5-(4-nitrophenyl)-2-furanyl]methylene]-, (5E)-, 5-{[5-(4-nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione, (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione, (5E)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
| Molecular Formula | C14H8N2O5S |
| Molecular Weight | 316.01538 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.01538 Da |
| Heavy Atoms | 22 |
| Complexity | 522.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)/C=C/3\C(=O)NC(=O)S3)[N+](=O)[O-] |
| InChIKey | JDLCFBRHUOWHRN-KPKJPENVSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione. Following Lipinski's Rule of Five, 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione is 1103723-39-2.
The molecular formula of 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione is C14H8N2O5S.
The molecular weight of 5-{[5-(4-Nitrophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione is 316.01538 g/mol.
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