N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
TL;DR: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (CAS 331818-96-3) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
Also Known As: N-(5-benzyl-1,3,4-thiadiazol-2-yl)isobutyramide, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide, N-[(2Z)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 331818-96-3 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NN=C(S1)CC2=CC=CC=C2 |
| InChIKey | HHHYBSCMLRAWGG-UHFFFAOYSA-N |
Product Overview
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (CAS 331818-96-3), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.
Chemical Property Profile of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
Property Insights of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide. Following Lipinski's Rule of Five, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide has 1 hydrogen bond donor(s) and 4 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-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is 331818-96-3.
What is the molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is C13H15N3OS.
What is the molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is 261.09 g/mol.
Where can I buy N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
You can request a quote for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.