(Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
TL;DR: (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 861651-81-2) is a chemical compound with molecular formula C19H22N4OS and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
Also Known As: (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile, 3-[4-[5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-{4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
| Molecular Formula | C19H22N4OS |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 2.75058 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.15143 |
| Heavy Atoms | 25 |
| Complexity | 724.78613 |
Chemical Identifiers
| CAS Number | 861651-81-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CCN(CC3)CCC#N |
Product Overview
(Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 861651-81-2), with molecular formula C19H22N4OS and molecular weight 354.15 g/mol. IUPAC: 3-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
Property Insights of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
The XLogP value of 2.75058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 59.7 Ų, (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 5 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-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The CAS number of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 861651-81-2.
What is the molecular formula of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular formula of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is C19H22N4OS.
What is the molecular weight of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular weight of (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 354.15 g/mol.
Where can I buy (Z)-3-(4-(5-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
You can request a quote for (Z)-3-(4-(5-(4-ethylbenzylidene)-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-(4-ethylbenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-(5-(4-ethylbenzylidene)-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.