TL;DR: 4-(4-Bromo-5-methyl-2-thienyl)-1,3-thiazole (CAS 881040-57-9) is a chemical compound with molecular formula C8H6BrNS2 and molecular weight 258.9125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole
Also Known As: 4-(4-BROMO-5-METHYL-2-THIENYL)-1,3-THIAZOLE, 4-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole, AB01328267-02
| Molecular Formula | C8H6BrNS2 |
| Molecular Weight | 258.9125 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.9125 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | CC1=C(C=C(S1)C2=CSC=N2)Br |
| InChIKey | OBLKELRJVZMTQG-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4-(4-Bromo-5-methyl-2-thienyl)-1,3-thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromo-5-methyl-2-thienyl)-1,3-thiazole. Following Lipinski's Rule of Five, 4-(4-Bromo-5-methyl-2-thienyl)-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-(4-Bromo-5-methyl-2-thienyl)-1,3-thiazole is 881040-57-9.
The molecular formula of 4-(4-Bromo-5-methyl-2-thienyl)-1,3-thiazole is C8H6BrNS2.
The molecular weight of 4-(4-Bromo-5-methyl-2-thienyl)-1,3-thiazole is 258.9125 g/mol.
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