2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide
TL;DR: 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide (CAS 531538-27-9) is a chemical compound with molecular formula C13H13N5O5S2 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
Also Known As: 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide, 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide, 2-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide, 2-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]thio}-N-(4-methoxy-2-nitrophenyl)acetamide, N-[5-[(4-methoxy-2-nitro-phenyl)carbamoylmethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C13H13N5O5S2 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 2.1441 |
| Topological Polar Surface Area | 136.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.0358 |
| Heavy Atoms | 25 |
| Complexity | 809.8574 |
Chemical Identifiers
| CAS Number | 531538-27-9 |
|---|---|
| SMILES | CC(=O)NC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide (CAS 531538-27-9), with molecular formula C13H13N5O5S2 and molecular weight 383.04 g/mol. IUPAC: 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide.
Chemical Property Profile of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide
Property Insights of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide
The XLogP value of 2.1441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide. The TPSA of 136.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 9 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-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide?
The CAS number of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide is 531538-27-9.
What is the molecular formula of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide?
The molecular formula of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide is C13H13N5O5S2.
What is the molecular weight of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide?
The molecular weight of 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide is 383.04 g/mol.
Where can I buy 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide?
You can request a quote for 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(4-methoxy-2-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.