TL;DR: 2-[4-Oxo-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 1206831-15-3) 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-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: [(5Z)-4-oxo-5-(pyridin-2-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|(Z)-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)acetic acid|[4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|2-[4-oxo-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|NSC409314|CHEMBL4103105|SBB043491|ST50110146
| 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-YVMONPNESA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-Oxo-5-(2-pyridylmethylene)-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 2-[4-Oxo-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. Following Lipinski's Rule of Five, 2-[4-Oxo-5-(2-pyridylmethylene)-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 2-[4-Oxo-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 1206831-15-3.
The molecular formula of 2-[4-Oxo-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is C11H8N2O3S2.
The molecular weight of 2-[4-Oxo-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 279.99762 g/mol.
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