![2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide structure](/static/products/330/330180-85-3.png)
2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide
TL;DR: 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide (CAS 330180-85-3) is a chemical compound with molecular formula C17H10F3N5O3S2 and molecular weight 453.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
Also Known As: 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide, 2-[3-cyano-6-methyl-4-(trifluoromethyl)(2-pyridylthio)]-N-(5-nitrobenzothiazol -2-yl)acetamide, 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide, 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitrobenzothiazol-2-yl)acetamide, 2-{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-{5-nitro-1,3-benzothiazol-2-yl}acetamide
| Molecular Formula | C17H10F3N5O3S2 |
|---|---|
| Molecular Weight | 453.02 g/mol |
| LogP | 4.5292 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.01773 |
| Heavy Atoms | 30 |
| Complexity | 1203.7925 |
Chemical Identifiers
| CAS Number | 330180-85-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N)C(F)(F)F |
Product Overview
2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide (CAS 330180-85-3), with molecular formula C17H10F3N5O3S2 and molecular weight 453.02 g/mol. IUPAC: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide
Property Insights of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide
The XLogP value of 4.5292 indicates that 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide?
The CAS number of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide is 330180-85-3.
What is the molecular formula of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide?
The molecular formula of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide is C17H10F3N5O3S2.
What is the molecular weight of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide?
The molecular weight of 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide is 453.02 g/mol.
Where can I buy 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide?
You can request a quote for 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-nitrobenzo[d]thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.