N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
TL;DR: N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (CAS 342591-55-3) is a chemical compound with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide, 2-methyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C16H12N4O3S |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 3.67402 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.06302 |
| Heavy Atoms | 24 |
| Complexity | 922.9458 |
Chemical Identifiers
| CAS Number | 342591-55-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide (CAS 342591-55-3), with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol. IUPAC: 2-methyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
Property Insights of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
The XLogP value of 3.67402 indicates that N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide 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-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide. Following Lipinski's Rule of Five, N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide has 1 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-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The CAS number of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is 342591-55-3.
What is the molecular formula of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The molecular formula of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is C16H12N4O3S.
What is the molecular weight of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
The molecular weight of N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide is 340.06 g/mol.
Where can I buy N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
You can request a quote for N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-{3-nitrophenyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.