![2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile structure](/static/products/4778/477868-64-7.webp)
2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile
TL;DR: 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile (CAS 477868-64-7) is a chemical compound with molecular formula C17H15N5S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]propanedinitrile
Also Known As: 2-{[2-(4-phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile, 2-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]propanedinitrile, 2-{[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene}propanedinitrile
| Molecular Formula | C17H15N5S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 2.90026 |
| Topological Polar Surface Area | 66.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.10483 |
| Heavy Atoms | 23 |
| Complexity | 757.3053 |
Chemical Identifiers
| CAS Number | 477868-64-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C3=NC=C(S3)C=C(C#N)C#N |
Product Overview
2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile (CAS 477868-64-7), with molecular formula C17H15N5S and molecular weight 321.10 g/mol. IUPAC: 2-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile
Property Insights of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile
The XLogP value of 2.90026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile. The TPSA of 66.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile has 0 hydrogen bond donor(s) and 6 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 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile?
The CAS number of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile is 477868-64-7.
What is the molecular formula of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile?
The molecular formula of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile is C17H15N5S.
What is the molecular weight of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile?
The molecular weight of 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile is 321.10 g/mol.
Where can I buy 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile?
You can request a quote for 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.