![5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile structure](/static/products/3387/338778-87-3.webp)
5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
TL;DR: 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile (CAS 338778-87-3) is a chemical compound with molecular formula C17H13ClN4S3 and molecular weight 404.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile, 5-[2-(4-chloroanilino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
| Molecular Formula | C17H13ClN4S3 |
|---|---|
| Molecular Weight | 404.00 g/mol |
| LogP | 5.8082 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.99908 |
| Heavy Atoms | 25 |
| Complexity | 922.26874 |
Chemical Identifiers
| CAS Number | 338778-87-3 |
|---|---|
| SMILES | CC1=NC(=CS1)CSC2=NSC(=C2C#N)C=CNC3=CC=C(C=C3)Cl |
Product Overview
5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile (CAS 338778-87-3), with molecular formula C17H13ClN4S3 and molecular weight 404.00 g/mol. IUPAC: 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Property Insights of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
The XLogP value of 5.8082 indicates that 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
The CAS number of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is 338778-87-3.
What is the molecular formula of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is C17H13ClN4S3.
What is the molecular weight of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile is 404.00 g/mol.
Where can I buy 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-chloroanilino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.