N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
TL;DR: N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide (CAS 535947-91-2) is a chemical compound with molecular formula C23H23N5O2S2 and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide, (E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, (2E)-N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide, (2E)-N-[(2Z)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
| Molecular Formula | C23H23N5O2S2 |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 3.6309 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.1293 |
| Heavy Atoms | 32 |
| Complexity | 1064.2604 |
Chemical Identifiers
| CAS Number | 535947-91-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(S3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide (CAS 535947-91-2), with molecular formula C23H23N5O2S2 and molecular weight 465.13 g/mol. IUPAC: (E)-N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
Property Insights of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
The XLogP value of 3.6309 indicates that N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide. Following Lipinski's Rule of Five, N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide has 1 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 N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
The CAS number of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is 535947-91-2.
What is the molecular formula of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
The molecular formula of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is C23H23N5O2S2.
What is the molecular weight of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
The molecular weight of N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is 465.13 g/mol.
Where can I buy N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
You can request a quote for N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.