N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
TL;DR: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide (CAS 149045-60-3) is a chemical compound with molecular formula C16H12N4O3S and molecular weight 340.06302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Also Known As: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide, (3-nitrophenyl)-N-[5-benzyl(1,3,4-thiadiazol-2-yl)]carboxamide
Technical Specifications
| Molecular Formula | C16H12N4O3S |
| Molecular Weight | 340.06302 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.06302 Da |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
| SMILES | C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | MNTFPGHLMOOBND-UHFFFAOYSA-N |
Chemical Property Profile of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Property Insights of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
The XLogP value of 3.3 indicates that N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide 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
What is the CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is 149045-60-3.
What is the molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is C16H12N4O3S.
What is the molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
The molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide is 340.06302 g/mol.
Where can I buy N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
You can request a quote for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.