N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
TL;DR: N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 392303-19-4) is a chemical compound with molecular formula C13H14FN3OS2 and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
Also Known As: IFLab1_001494, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide, N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylpropanamide, N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide, N-{5-[(m-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl}2-methylpropionamide
| Molecular Formula | C13H14FN3OS2 |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 3.564 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.05624 |
| Heavy Atoms | 20 |
| Complexity | 600.8071 |
Chemical Identifiers
| CAS Number | 392303-19-4 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)F |
Product Overview
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 392303-19-4), with molecular formula C13H14FN3OS2 and molecular weight 311.06 g/mol. IUPAC: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
Chemical Property Profile of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
Property Insights of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide
The XLogP value of 3.564 indicates that N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide has 1 hydrogen bond donor(s) and 5 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-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The CAS number of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is 392303-19-4.
What is the molecular formula of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular formula of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is C13H14FN3OS2.
What is the molecular weight of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular weight of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide is 311.06 g/mol.
Where can I buy N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
You can request a quote for N-(5-((3-fluorobenzyl)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-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.