N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide
TL;DR: N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide (CAS 899979-27-2) is a chemical compound with molecular formula C10H11N5OS3 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
Also Known As: VU0499289-1, F2793-0037, 4-ethyl-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-thiadiazole-5-carboxamide, N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide, 4-ethyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
| Molecular Formula | C10H11N5OS3 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 2.4824 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.01257 |
| Heavy Atoms | 19 |
| Complexity | 579.23706 |
Chemical Identifiers
| CAS Number | 899979-27-2 |
|---|---|
| SMILES | CCC1=C(SN=N1)C(=O)NC2=NN=C(S2)SCC=C |
Product Overview
N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide (CAS 899979-27-2), with molecular formula C10H11N5OS3 and molecular weight 313.01 g/mol. IUPAC: 4-ethyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide.
Chemical Property Profile of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide
Property Insights of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide
The XLogP value of 2.4824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide. Following Lipinski's Rule of Five, N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide 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-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The CAS number of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide is 899979-27-2.
What is the molecular formula of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The molecular formula of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide is C10H11N5OS3.
What is the molecular weight of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
The molecular weight of N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide is 313.01 g/mol.
Where can I buy N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
You can request a quote for N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.