![N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide structure](/static/products/874/874653-96-0.png)
N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide
TL;DR: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide (CAS 874653-96-0) is a chemical compound with molecular formula C12H16F3N5OS and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide, N-(1-cyano-1,2-dimethylpropyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide
| Molecular Formula | C12H16F3N5OS |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 1.98048 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.10275 |
| Heavy Atoms | 22 |
| Complexity | 592.5627 |
Chemical Identifiers
| CAS Number | 874653-96-0 |
|---|---|
| SMILES | CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C)C(F)(F)F |
Product Overview
N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide (CAS 874653-96-0), with molecular formula C12H16F3N5OS and molecular weight 335.10 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide
Property Insights of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide
The XLogP value of 1.98048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide has 1 hydrogen bond donor(s) and 5 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 N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide?
The CAS number of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide is 874653-96-0.
What is the molecular formula of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide?
The molecular formula of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide is C12H16F3N5OS.
What is the molecular weight of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide?
The molecular weight of N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide is 335.10 g/mol.
Where can I buy N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide?
You can request a quote for N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.