N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
TL;DR: N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 868972-77-4) is a chemical compound with molecular formula C13H16N4O3S2 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
Also Known As: N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide, F1838-0032, N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide, N-{5-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-methylpropanamide
| Molecular Formula | C13H16N4O3S2 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.1341 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.06638 |
| Heavy Atoms | 22 |
| Complexity | 625.02856 |
Chemical Identifiers
| CAS Number | 868972-77-4 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NN=C(S1)SCC(=O)NCC2=CC=CO2 |
Product Overview
N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 868972-77-4), with molecular formula C13H16N4O3S2 and molecular weight 340.07 g/mol. IUPAC: N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
Chemical Property Profile of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
Property Insights of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
The XLogP value of 2.1341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide. The TPSA of 97.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide. Following Lipinski's Rule of Five, N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide has 2 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-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The CAS number of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is 868972-77-4.
What is the molecular formula of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular formula of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is C13H16N4O3S2.
What is the molecular weight of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular weight of N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is 340.07 g/mol.
Where can I buy N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
You can request a quote for N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide 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-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.