TL;DR: (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione (CAS 1055980-09-0) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione, (5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione, 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidine-2,4-dione, 5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylene]-1,3-thiazolidine-2,4-dione, 5-[(E)-1-(2,5-DIMETHYL-1-PHENYL-1H-PYRROL-3-YL)METHYLIDENE]-1,3-THIAZOLANE-2,4-DIONE
| Molecular Formula | C16H14N2O2S |
| Molecular Weight | 298.0776 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 76.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0776 Da |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)NC(=O)S3 |
| InChIKey | FVGSOBLLLYZBRJ-NTEUORMPSA-N |
The XLogP value of 3.4 indicates that (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione. Following Lipinski's Rule of Five, (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione is 1055980-09-0.
The molecular formula of (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione is C16H14N2O2S.
The molecular weight of (5E)-5-[(2,5-Dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2,4-thiazolidinedione is 298.0776 g/mol.
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