N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
TL;DR: N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide (CAS 690686-44-3) is a chemical compound with molecular formula C19H16N4O4S2 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide, (E)-N-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, (2E)-N-[(2E)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide, (2E)-N-{5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide, N-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-prop-2-enamide
| Molecular Formula | C19H16N4O4S2 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 4.3991 |
| Topological Polar Surface Area | 107.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.0613 |
| Heavy Atoms | 29 |
| Complexity | 1037.6982 |
Chemical Identifiers
| CAS Number | 690686-44-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide (CAS 690686-44-3), with molecular formula C19H16N4O4S2 and molecular weight 428.06 g/mol. IUPAC: (E)-N-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
Property Insights of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide
The XLogP value of 4.3991 indicates that N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide. Following Lipinski's Rule of Five, N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide has 1 hydrogen bond donor(s) and 8 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-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
The CAS number of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is 690686-44-3.
What is the molecular formula of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
The molecular formula of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is C19H16N4O4S2.
What is the molecular weight of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
The molecular weight of N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide is 428.06 g/mol.
Where can I buy N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
You can request a quote for N-(5-((4-methoxy-3-nitrobenzyl)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-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-methoxy-3-nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.