4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile
TL;DR: 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile (CAS 1022254-59-6) is a chemical compound with molecular formula C17H12ClN3S and molecular weight 325.04404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzonitrile
Also Known As: 4-((4-(4-CHLORO-3-METHYLPHENYL)-2,5-THIAZOLYL)AMINO)BENZENECARBONITRILE, 4-[[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]amino]benzonitrile, 4-{[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]amino}benzonitrile, 4-[[4-(4-chloro-3-methyl-phenyl)thiazol-2-yl]amino]benzonitrile, 4-[[4-(4-chloro-3-methyl-phenyl)-1,3-thiazol-2-yl]amino]benzonitrile
Technical Specifications
| Molecular Formula | C17H12ClN3S |
| Molecular Weight | 325.04404 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.04404 Da |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
| SMILES | CC1=C(C=CC(=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C#N)Cl |
| InChIKey | NSFNRQSGHHBHOW-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile
Property Insights of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile
The XLogP value of 5.2 indicates that 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile. Following Lipinski's Rule of Five, 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile?
The CAS number of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile is 1022254-59-6.
What is the molecular formula of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile?
The molecular formula of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile is C17H12ClN3S.
What is the molecular weight of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile?
The molecular weight of 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile is 325.04404 g/mol.
Where can I buy 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile?
You can request a quote for 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-((4-(4-Chloro-3-methylphenyl)-2,5-thiazolyl)amino)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.