4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide
TL;DR: 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide (CAS 148367-91-3) is a chemical compound with molecular formula C20H18ClN5OS and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide
Also Known As: 1H-Indole-1-ethanol,5-bromo, 4-(4-tert-Butylphenyl)-N-(2-chlorophenyl)-5-cyan-amide-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide, 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide, 4-(4-(tert-Butyl)phenyl)-N-(2-chlorophenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxamide, AI-067/31571045
| Molecular Formula | C20H18ClN5OS |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.51878 |
| Topological Polar Surface Area | 83.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.09207 |
| Heavy Atoms | 28 |
| Complexity | 1116.9783 |
Chemical Identifiers
| CAS Number | 148367-91-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)N2C(=NC#N)SC(=N2)C(=O)NC3=CC=CC=C3Cl |
Product Overview
4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide (CAS 148367-91-3), with molecular formula C20H18ClN5OS and molecular weight 411.09 g/mol. IUPAC: 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide.
Chemical Property Profile of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide
Property Insights of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide
The XLogP value of 4.51878 indicates that 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide. Following Lipinski's Rule of Five, 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide 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-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide?
The CAS number of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide is 148367-91-3.
What is the molecular formula of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide?
The molecular formula of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide is C20H18ClN5OS.
What is the molecular weight of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide?
The molecular weight of 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide is 411.09 g/mol.
Where can I buy 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide?
You can request a quote for 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.