TL;DR: N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide (CAS 134880-85-6) is a chemical compound with molecular formula C20H10ClF9N2OS2 and molecular weight 563.97797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide
Also Known As: N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide, N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide, N-[5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-[(phenylsulfanyl)methyl]-3,5-bis(trifluoromethyl)benzamide
| Molecular Formula | C20H10ClF9N2OS2 |
| Molecular Weight | 563.97797 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 563.97797 Da |
| Heavy Atoms | 35 |
| Complexity | 709.0 |
| SMILES | C1=CC=C(C=C1)SCN(C2=NC(=C(S2)Cl)C(F)(F)F)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
| InChIKey | WRSAPCIUZKXGPD-UHFFFAOYSA-N |
The XLogP value of 8.3 indicates that N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide. Following Lipinski's Rule of Five, N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide is 134880-85-6.
The molecular formula of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide is C20H10ClF9N2OS2.
The molecular weight of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(phenylsulfanylmethyl)-3,5-bis(trifluoromethyl)benzamide is 563.97797 g/mol.
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