N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide
TL;DR: N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide (CAS 868974-50-9) is a chemical compound with molecular formula C11H9BrN4O2S2 and molecular weight 371.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-bromobenzamide
Also Known As: 3-bromo-N-{5-[(carbamoylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide, F1838-1906, N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide, N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-bromobenzamide
| Molecular Formula | C11H9BrN4O2S2 |
|---|---|
| Molecular Weight | 371.94 g/mol |
| LogP | 2.1303 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.93503 |
| Heavy Atoms | 20 |
| Complexity | 646.8583 |
Chemical Identifiers
| CAS Number | 868974-50-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC2=NN=C(S2)SCC(=O)N |
Product Overview
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide (CAS 868974-50-9), with molecular formula C11H9BrN4O2S2 and molecular weight 371.94 g/mol. IUPAC: N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-bromobenzamide.
Chemical Property Profile of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide
Property Insights of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide
The XLogP value of 2.1303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide. Following Lipinski's Rule of Five, N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide has 2 hydrogen bond donor(s) and 6 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-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide?
The CAS number of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide is 868974-50-9.
What is the molecular formula of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide?
The molecular formula of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide is C11H9BrN4O2S2.
What is the molecular weight of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide?
The molecular weight of N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide is 371.94 g/mol.
Where can I buy N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide?
You can request a quote for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide 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-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.