N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide
TL;DR: N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide (CAS 851860-80-5) is a chemical compound with molecular formula C16H15FN6O3S3 and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluorobenzamide
Also Known As: N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide, N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-fluorobenzamide, N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluorobenzamide, N-[(5-{[N-5-(ethylthio)-1,3,4-thiadiazol-2-ylcarbamoyl]methylthio}-1,3,4-oxadiazol-2-yl)methyl]o-fluorobenzamide
| Molecular Formula | C16H15FN6O3S3 |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 2.833 |
| Topological Polar Surface Area | 122.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.0352 |
| Heavy Atoms | 29 |
| Complexity | 995.7029 |
Chemical Identifiers
| CAS Number | 851860-80-5 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F |
Product Overview
N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide (CAS 851860-80-5), with molecular formula C16H15FN6O3S3 and molecular weight 454.04 g/mol. IUPAC: N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide
Property Insights of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide
The XLogP value of 2.833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide. The TPSA of 122.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide. Following Lipinski's Rule of Five, N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide has 2 hydrogen bond donor(s) and 10 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-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide?
The CAS number of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide is 851860-80-5.
What is the molecular formula of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide?
The molecular formula of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide is C16H15FN6O3S3.
What is the molecular weight of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide?
The molecular weight of N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide is 454.04 g/mol.
Where can I buy N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide?
You can request a quote for N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide 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-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.