TL;DR: Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate (CAS 1147198-40-0) is a chemical compound with molecular formula C9H7LiN2O2S and molecular weight 214.03883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
lithium 2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetate
Also Known As: LITHIUM [2-(1H-PYRROL-1-YL)-1,3-THIAZOL-4-YL]ACETATE, Lithium 2-(2-(1h-pyrrol-1-yl)thiazol-4-yl)acetate, lithium;2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetate, Lithium 2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetate, lithium(1+) ion 2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetate
| Molecular Formula | C9H7LiN2O2S |
| Molecular Weight | 214.03883 g/mol |
| XLogP | -2.7698 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.03883 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | [Li+].C1=CN(C=C1)C2=NC(=CS2)CC(=O)[O-] |
| InChIKey | KWUWPYKFFHAPLB-UHFFFAOYSA-M |
The XLogP value of -2.7698 indicates that Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate. Following Lipinski's Rule of Five, Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate is 1147198-40-0.
The molecular formula of Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate is C9H7LiN2O2S.
The molecular weight of Lithium [2-(1H-pyrrol-1-YL)-1,3-thiazol-4-YL]acetate is 214.03883 g/mol.
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