N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide
TL;DR: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide (CAS 376624-39-4) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide
Also Known As: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide, N-(4,5-dimethylthiazol-2-yl)-3-nitrobenzamide, N-(4,5-dimethyl(1,3-thiazol-2-yl))(3-nitrophenyl)carboxamide
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 2.92044 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 631.9192 |
Chemical Identifiers
| CAS Number | 376624-39-4 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide (CAS 376624-39-4), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide
Property Insights of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide
The XLogP value of 2.92044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The CAS number of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide is 376624-39-4.
What is the molecular formula of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The molecular formula of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide is C12H11N3O3S.
What is the molecular weight of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The molecular weight of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide is 277.05 g/mol.
Where can I buy N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
You can request a quote for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.