2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CAS 831206-69-0) is a chemical compound with molecular formula C17H18N6O2S2 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C17H18N6O2S2 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 2.9814 |
| Topological Polar Surface Area | 105.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.09326 |
| Heavy Atoms | 27 |
| Complexity | 952.55914 |
Chemical Identifiers
| CAS Number | 831206-69-0 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3O |
Product Overview
2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CAS 831206-69-0), with molecular formula C17H18N6O2S2 and molecular weight 402.09 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 2.9814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide. The TPSA of 105.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has 2 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 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is 831206-69-0.
What is the molecular formula of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is C17H18N6O2S2.
What is the molecular weight of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is 402.09 g/mol.
Where can I buy 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.