N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
TL;DR: N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide (CAS 383371-70-8) is a chemical compound with molecular formula C13H12F3N3O2S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
Also Known As: N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide, N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide, N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2,2,2-trifluoroacetamide
| Molecular Formula | C13H12F3N3O2S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06024 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 383371-70-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC2=NN=C(S2)NC(=O)C(F)(F)F)C |
| InChIKey | YCWDKWLFWCWKDG-UHFFFAOYSA-N |
Product Overview
N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide (CAS 383371-70-8), with molecular formula C13H12F3N3O2S and molecular weight 331.06 g/mol. IUPAC: N-[5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
Property Insights of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
The XLogP value of 3.2 indicates that N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide. Following Lipinski's Rule of Five, N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide 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 N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The CAS number of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is 383371-70-8.
What is the molecular formula of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is C13H12F3N3O2S.
What is the molecular weight of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is 331.06 g/mol.
Where can I buy N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2,3-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.