TL;DR: 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CAS 1164536-80-4) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
Also Known As: BAS 00439841, 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid, (Z)-2-(4-oxo-2-(2-oxopropylidene)-3-phenylthiazolidin-5-yl)acetic acid, F1541-0027, [4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
| Molecular Formula | C14H13NO4S |
| Molecular Weight | 291.05652 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.05652 Da |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
| SMILES | CC(=O)/C=C\1/N(C(=O)C(S1)CC(=O)O)C2=CC=CC=C2 |
| InChIKey | YZLIFDANYWPYPC-GHXNOFRVSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid. Following Lipinski's Rule of Five, 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is 1164536-80-4.
The molecular formula of 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is C14H13NO4S.
The molecular weight of 2-[(2Z)-4-oxo-2-(2-oxopropylidene)-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is 291.05652 g/mol.
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