TL;DR: (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid (CAS 1613051-32-3) is a chemical compound with molecular formula C8H5ClN2O2S and molecular weight 227.97603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
Also Known As: IDI1_007868, 3-(6-Chloroimidazo[2,1-b]thiazol-5-yl)acrylic acid, 3-(6-chloro-imidazo[2,1-b]thiazol-5-yl)acrylic acid, 3-(6-Chloro-imidazo[2,1-b]thiazol-5-yl)-acrylic acid, (2E)-3-{6-CHLOROIMIDAZO[2,1-B][1,3]THIAZOL-5-YL}PROP-2-ENOIC ACID
| Molecular Formula | C8H5ClN2O2S |
| Molecular Weight | 227.97603 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97603 Da |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
| SMILES | C1=CSC2=NC(=C(N21)/C=C/C(=O)O)Cl |
| InChIKey | ZBYRHXXVGNUDRH-OWOJBTEDSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid has 1 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 (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid is 1613051-32-3.
The molecular formula of (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid is C8H5ClN2O2S.
The molecular weight of (2E)-3-(6-chloroimidazo(2,1-b)(1,3)thiazol-5-yl)prop-2-enoic acid is 227.97603 g/mol.
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