TL;DR: 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole (CAS 13386-49-7) is a chemical compound with molecular formula C8H6ClNOS and molecular weight 198.98586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(chloromethyl)-2-(furan-2-yl)-1,3-thiazole
Also Known As: 4-(chloromethyl)-2-(2-furyl)-1,3-thiazole, 4-(chloromethyl)-2-(furan-2-yl)-1,3-thiazole, 4-(Chloromethyl)-2-(furan-2-yl)thiazole, Thiazole,4-(chloromethyl)-2-(2-furanyl)-, 4-(Chloromethyl)-2-(2-furyl)thiazole
| Molecular Formula | C8H6ClNOS |
| Molecular Weight | 198.98586 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.98586 Da |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
| SMILES | C1=COC(=C1)C2=NC(=CS2)CCl |
| InChIKey | GGBVJLIWOXIYQO-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole. With a topological polar surface area (TPSA) of 54.3 Ų, 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole is 13386-49-7.
The molecular formula of 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole is C8H6ClNOS.
The molecular weight of 4-(Chloromethyl)-2-(2-furyl)-1,3-thiazole is 198.98586 g/mol.
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