N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
TL;DR: N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide (CAS 476464-63-8) is a chemical compound with molecular formula C15H12N4O3S3 and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
Also Known As: F0529-0559, N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide, N-(5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide, N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide, N-{5-[(p-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl}(2-thienyl)acetamide
| Molecular Formula | C15H12N4O3S3 |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 3.9813 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.00714 |
| Heavy Atoms | 25 |
| Complexity | 862.54614 |
Chemical Identifiers
| CAS Number | 476464-63-8 |
|---|---|
| SMILES | C1=CSC(=C1)CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide (CAS 476464-63-8), with molecular formula C15H12N4O3S3 and molecular weight 392.01 g/mol. IUPAC: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
Chemical Property Profile of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
Property Insights of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
The XLogP value of 3.9813 indicates that N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide. Following Lipinski's Rule of Five, N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-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 N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide?
The CAS number of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide is 476464-63-8.
What is the molecular formula of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide?
The molecular formula of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide is C15H12N4O3S3.
What is the molecular weight of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide?
The molecular weight of N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide is 392.01 g/mol.
Where can I buy N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide?
You can request a quote for N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-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 N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.