![2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide structure](/static/products/6369/636992-89-7.webp)
2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
TL;DR: 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 636992-89-7) is a chemical compound with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, N-(5-ISOBUTYL-1,3,4-THIADIAZOL-2-YL)-2-METHYL-3-NITROBENZAMIDE, (2-methyl-3-nitrophenyl)-N-[5-(2-methylpropyl)(1,3,4-thiadiazol-2-yl)]carboxam ide
| Molecular Formula | C14H16N4O3S |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.0943 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 636992-89-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)CC(C)C |
| InChIKey | HGQBCYZFESGKGC-UHFFFAOYSA-N |
Product Overview
2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 636992-89-7), with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol. IUPAC: 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Property Insights of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
The XLogP value of 3.4 indicates that 2-methyl-N-[5-(2-methylpropyl)-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 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 2-methyl-N-[5-(2-methylpropyl)-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
Frequently Asked Questions
What is the CAS number of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The CAS number of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 636992-89-7.
What is the molecular formula of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular formula of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is C14H16N4O3S.
What is the molecular weight of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular weight of 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 320.09 g/mol.
Where can I buy 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
You can request a quote for 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-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 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.