N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide
TL;DR: N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide (CAS 134880-86-7) is a chemical compound with molecular formula C15H5ClF9N3OS and molecular weight 480.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide
Also Known As: N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide, N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide
| Molecular Formula | C15H5ClF9N3OS |
|---|---|
| Molecular Weight | 480.97 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.96982 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 134880-86-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N(CC#N)C2=NC(=C(S2)Cl)C(F)(F)F |
| InChIKey | ZINLHRBBMGMZQF-UHFFFAOYSA-N |
Product Overview
N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide (CAS 134880-86-7), with molecular formula C15H5ClF9N3OS and molecular weight 480.97 g/mol. IUPAC: N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide
Property Insights of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide
The XLogP value of 5.7 indicates that N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide. Following Lipinski's Rule of Five, N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide?
The CAS number of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide is 134880-86-7.
What is the molecular formula of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide?
The molecular formula of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide is C15H5ClF9N3OS.
What is the molecular weight of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide?
The molecular weight of N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide is 480.97 g/mol.
Where can I buy N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide?
You can request a quote for N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(cyanomethyl)-3,5-bis(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.