5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
TL;DR: 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one (CAS 300560-28-5) is a chemical compound with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(4-methylpiperazin-1-yl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one
Also Known As: BAS 00920743, BIM-0031718.P001, 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one, (5Z)-2-(4-methylpiperazin-1-yl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one, 2-(4-Methyl-piperazin-1-yl)-5-(4-nitro-benzylidene)-thiazol-4-one
| Molecular Formula | C15H16N4O3S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 1.8125 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0943 |
| Heavy Atoms | 23 |
| Complexity | 691.17847 |
Chemical Identifiers
| CAS Number | 300560-28-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/S2 |
Product Overview
5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one (CAS 300560-28-5), with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol. IUPAC: (5Z)-2-(4-methylpiperazin-1-yl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
Property Insights of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
The XLogP value of 1.8125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one 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 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one?
The CAS number of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one is 300560-28-5.
What is the molecular formula of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one?
The molecular formula of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one is C15H16N4O3S.
What is the molecular weight of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one?
The molecular weight of 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one is 332.09 g/mol.
Where can I buy 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one?
You can request a quote for 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{4-nitrobenzylidene}-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.