TL;DR: 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)- (CAS 130000-46-3) is a chemical compound with molecular formula C12H4Cl5F3N2OS and molecular weight 455.8439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-(2,3,4,5,6-pentachlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
Also Known As: 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)-, 2-methyl-N-(2,3,4,5,6-pentachlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide, 2-Methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
| Molecular Formula | C12H4Cl5F3N2OS |
| Molecular Weight | 455.8439 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.8439 Da |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
| SMILES | CC1=NC(=C(S1)C(=O)NC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)C(F)(F)F |
| InChIKey | PGNHAJYAUKIDCM-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)- is 130000-46-3.
The molecular formula of 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)- is C12H4Cl5F3N2OS.
The molecular weight of 5-Thiazolecarboxamide, 2-methyl-N-(pentachlorophenyl)-4-(trifluoromethyl)- is 455.8439 g/mol.
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