(Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
TL;DR: (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 861637-89-0) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
Also Known As: (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile, 3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-[4-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-{4-[(5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 2.20538 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 807.6631 |
Chemical Identifiers
| CAS Number | 861637-89-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCN(CC3)CCC#N)OC |
Product Overview
(Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 861637-89-0), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
Property Insights of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
The XLogP value of 2.20538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. Following Lipinski's Rule of Five, (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile 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 (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The CAS number of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 861637-89-0.
What is the molecular formula of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular formula of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is C19H22N4O3S.
What is the molecular weight of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular weight of (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 386.14 g/mol.
Where can I buy (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
You can request a quote for (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-(5-(3,4-dimethoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.