1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
TL;DR: 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea (CAS 886934-47-0) is a chemical compound with molecular formula C11H11FN4OS2 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
Also Known As: F2680-0157, 3-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea, 1-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea, 5-(ethylthio)-2-[3-(p-fluorophenyl)ureido]-1,3,4-thiadiazole
| Molecular Formula | C11H11FN4OS2 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 3.4332 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.03583 |
| Heavy Atoms | 19 |
| Complexity | 558.07776 |
Chemical Identifiers
| CAS Number | 886934-47-0 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)F |
Product Overview
1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea (CAS 886934-47-0), with molecular formula C11H11FN4OS2 and molecular weight 298.04 g/mol. IUPAC: 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
Property Insights of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
The XLogP value of 3.4332 indicates that 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea has 2 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 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The CAS number of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is 886934-47-0.
What is the molecular formula of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The molecular formula of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is C11H11FN4OS2.
What is the molecular weight of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
The molecular weight of 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea is 298.04 g/mol.
Where can I buy 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
You can request a quote for 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(Ethylthio)-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.