![5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile structure](/static/products/1164/1164474-08-1.webp)
5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
TL;DR: 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile (CAS 1164474-08-1) is a chemical compound with molecular formula C14H13N3S2 and molecular weight 287.05508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(4-methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-(methylsulfanyl)-5-[2-(4-toluidino)vinyl]-4-isothiazolecarbonitrile, 5-[2-(4-methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile, 5-{2-[(4-METHYLPHENYL)AMINO]ETHENYL}-3-(METHYLSULFANYL)-1,2-THIAZOLE-4-CARBONITRILE
Technical Specifications
| Molecular Formula | C14H13N3S2 |
| Molecular Weight | 287.05508 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.05508 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | CC1=CC=C(C=C1)NC=CC2=C(C(=NS2)SC)C#N |
| InChIKey | GIMRNMHYLRTZFZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Property Insights of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
The XLogP value of 3.9 indicates that 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile 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
What is the CAS number of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The CAS number of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is 1164474-08-1.
What is the molecular formula of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is C14H13N3S2.
What is the molecular weight of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile is 287.05508 g/mol.
Where can I buy 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-[2-(4-Methylanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.