4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 544701-28-2) 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-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
Also Known As: 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, AO-299/14233002, N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-yl)benzamide, 4-isopropyl-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 3.22222 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 545.61896 |
Chemical Identifiers
| CAS Number | 544701-28-2 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(C)C |
Product Overview
4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 544701-28-2), with molecular formula C13H15N3OS and molecular weight 261.09 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide.
Chemical Property Profile of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.22222 indicates that 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide 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 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is 544701-28-2.
What is the molecular formula of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is C13H15N3OS.
What is the molecular weight of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is 261.09 g/mol.
Where can I buy 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-isopropyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.