![5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile structure](/static/products/3387/338778-83-9.webp)
5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
TL;DR: 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 338778-83-9) is a chemical compound with molecular formula C13H14N4S3 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile, 5-[2-(dimethylamino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C13H14N4S3 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 3.6043 |
| Topological Polar Surface Area | 52.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.03806 |
| Heavy Atoms | 20 |
| Complexity | 648.86566 |
Chemical Identifiers
| CAS Number | 338778-83-9 |
|---|---|
| SMILES | CC1=NC(=CS1)CSC2=NSC(=C2C#N)C=CN(C)C |
Product Overview
5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 338778-83-9), with molecular formula C13H14N4S3 and molecular weight 322.04 g/mol. IUPAC: 5-[2-(dimethylamino)ethenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
Property Insights of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile
The XLogP value of 3.6043 indicates that 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.81 Ų, 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 7 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 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
The CAS number of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is 338778-83-9.
What is the molecular formula of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular formula of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is C13H14N4S3.
What is the molecular weight of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular weight of 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile is 322.04 g/mol.
Where can I buy 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
You can request a quote for 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(dimethylamino)vinyl]-3-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.