4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 393567-54-9) is a chemical compound with molecular formula C16H21N3OS2 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-tert-butyl-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide, F0509-2196, 4-tert-butyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C16H21N3OS2 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 4.59 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.1126 |
| Heavy Atoms | 22 |
| Complexity | 629.58563 |
Chemical Identifiers
| CAS Number | 393567-54-9 |
|---|---|
| SMILES | CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 393567-54-9), with molecular formula C16H21N3OS2 and molecular weight 335.11 g/mol. IUPAC: 4-tert-butyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.59 indicates that 4-(tert-butyl)-N-(5-(propylthio)-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-(propylthio)-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-(propylthio)-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-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide is 393567-54-9.
What is the molecular formula of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide is C16H21N3OS2.
What is the molecular weight of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide is 335.11 g/mol.
Where can I buy 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-(tert-butyl)-N-(5-(propylthio)-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-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-butyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.