(E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
TL;DR: (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one (CAS 36937-42-5) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-nitrophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
Also Known As: AB00685902-01, F1327-0062, (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one, (5E)-5-[(3-nitrophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one, (5E)-5-[(3-nitrophenyl)methylidene]-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-4-one
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.051 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 678.3652 |
Chemical Identifiers
| CAS Number | 36937-42-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/S2 |
Product Overview
(E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one (CAS 36937-42-5), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: (5E)-5-[(3-nitrophenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
Chemical Property Profile of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
Property Insights of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
The XLogP value of 3.051 indicates that (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one. Following Lipinski's Rule of Five, (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one 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 (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one?
The CAS number of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one is 36937-42-5.
What is the molecular formula of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one?
The molecular formula of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one is C15H15N3O3S.
What is the molecular weight of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one?
The molecular weight of (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one is 317.08 g/mol.
Where can I buy (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one?
You can request a quote for (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)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 (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-nitrobenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.