TL;DR: 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- (CAS 133861-21-9) is a chemical compound with molecular formula C11H3BrCl2F3N3O3S and molecular weight 462.84076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Also Known As: 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide, N-(2-bromo-4-chloro-6-nitro-phenyl)-2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
| Molecular Formula | C11H3BrCl2F3N3O3S |
| Molecular Weight | 462.84076 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.84076 Da |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)C2=C(N=C(S2)Cl)C(F)(F)F)Br)Cl |
| InChIKey | XVZZIVGSYVOFMF-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- is 133861-21-9.
The molecular formula of 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- is C11H3BrCl2F3N3O3S.
The molecular weight of 5-Thiazolecarboxamide, N-(2-bromo-4-chloro-6-nitrophenyl)-2-chloro-4-(trifluoromethyl)- is 462.84076 g/mol.
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