![2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide structure](/static/products/4382/438211-50-8.webp)
2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
TL;DR: 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 438211-50-8) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, 3-nitro-2-methyl-N-(5-tert-pentyl-1,3,4-thiadiazol-2-yl)benzamide, 2-METHYL-N-[5-(2-METHYL-2-BUTANYL)-1,3,4-THIADIAZOL-2-YL]-3-NITROBENZAMIDE, N-[5-(1,1-dimethylpropyl)(1,3,4-thiadiazol-2-yl)](2-methyl-3-nitrophenyl)carbo xamide
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 3.69462 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 754.9303 |
Chemical Identifiers
| CAS Number | 438211-50-8 |
|---|---|
| SMILES | CCC(C)(C)C1=NN=C(S1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 438211-50-8), with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol. IUPAC: 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Property Insights of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
The XLogP value of 3.69462 indicates that 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide 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 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 2-methyl-N-[5-(2-methylbutan-2-yl)-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-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The CAS number of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 438211-50-8.
What is the molecular formula of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular formula of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is C15H18N4O3S.
What is the molecular weight of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular weight of 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 334.11 g/mol.
Where can I buy 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
You can request a quote for 2-methyl-N-[5-(2-methylbutan-2-yl)-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-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.