![2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide structure](/static/products/4245/42458-71-9.webp)
2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
TL;DR: 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 42458-71-9) is a chemical compound with molecular formula C5H3ClF3N3OS and molecular weight 244.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: ALCLOXA, 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-Chloro-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-acetamide, BAS 01949511, Acetamide, 2-chloro-N-(5-(trifluoromethyl)-1,3,4-thiadiazol2-yl)-
| Molecular Formula | C5H3ClF3N3OS |
|---|---|
| Molecular Weight | 244.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.96375 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 42458-71-9 |
|---|---|
| SMILES | C(C(=O)NC1=NN=C(S1)C(F)(F)F)Cl |
| InChIKey | IRJUPVZWCCPWBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 42458-71-9), with molecular formula C5H3ClF3N3OS and molecular weight 244.96 g/mol. IUPAC: 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Property Insights of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide. Following Lipinski's Rule of Five, 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has 1 hydrogen bond donor(s) and 7 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-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The CAS number of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is 42458-71-9.
What is the molecular formula of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The molecular formula of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is C5H3ClF3N3OS.
What is the molecular weight of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The molecular weight of 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is 244.96 g/mol.
Where can I buy 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
You can request a quote for 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-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-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.