TL;DR: Bionet1_001028 (CAS 320420-61-9) is a chemical compound with molecular formula C14H9F6N3O2S and molecular weight 397.03195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide
Also Known As: Bionet1_001028, N-{[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbonyl}-N'-[3-(trifluoromethyl)phenyl]urea, 1G-051, 3-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-1-[3-(trifluoromethyl)phenyl]urea, 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide
| Molecular Formula | C14H9F6N3O2S |
| Molecular Weight | 397.03195 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.03195 Da |
| Heavy Atoms | 26 |
| Complexity | 542.0 |
| SMILES | CC1=NC(=C(S1)C(=O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | VJBKYMXPLWULDZ-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Bionet1_001028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001028. Following Lipinski's Rule of Five, Bionet1_001028 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bionet1_001028 is 320420-61-9.
The molecular formula of Bionet1_001028 is C14H9F6N3O2S.
The molecular weight of Bionet1_001028 is 397.03195 g/mol.
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