4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 393567-53-8) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-(tert-butyl)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)benzamide, 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide, AN-652/41469175, 4-tert-butyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]benzamide, 4-tert-butyl-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C14H17N3OS2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.8098 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0813 |
| Heavy Atoms | 20 |
| Complexity | 599.6267 |
Chemical Identifiers
| CAS Number | 393567-53-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SC |
Product Overview
4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 393567-53-8), with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol. IUPAC: 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.8098 indicates that 4-tert-butyl-N-(5-methylsulfanyl-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-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide 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 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is 393567-53-8.
What is the molecular formula of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is C14H17N3OS2.
What is the molecular weight of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is 307.08 g/mol.
Where can I buy 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-tert-butyl-N-(5-methylsulfanyl-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-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.