TL;DR: [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 103985-14-4) is a chemical compound with molecular formula C11H8N2O3S2 and molecular weight 279.99762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|(E)-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)acetic acid|2-[(5E)-4-OXO-5-[(PYRIDIN-2-YL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID|STK337185
| Molecular Formula | C11H8N2O3S2 |
| Molecular Weight | 279.99762 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.99762 Da |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
| SMILES | C1=CC=NC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | PXYWYJUEIRDSPY-VMPITWQZSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. Following Lipinski's Rule of Five, [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid 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 [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 103985-14-4.
The molecular formula of [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is C11H8N2O3S2.
The molecular weight of [(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 279.99762 g/mol.
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