3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine

C8H6FN3OS — CID 131589048

IUPAC3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Oc2ccc(F)cc2)ns1
InChIInChI=1S/C8H6FN3OS/c9-5-1-3-6(4-2-5)13-8-11-7(10)14-12-8/h1-4H,(H2,10,11,12)
InChIKeyISUXBCUPXAAUST-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.05
Rot. Bonds2

About 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine

3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine (PubChem CID 131589048) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine
PubChem CID131589048
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Oc2ccc(F)cc2)ns1
InChIInChI=1S/C8H6FN3OS/c9-5-1-3-6(4-2-5)13-8-11-7(10)14-12-8/h1-4H,(H2,10,11,12)
InChIKeyISUXBCUPXAAUST-UHFFFAOYSA-N
XLogP2.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine (CID 131589048) is 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine is Nc1nc(Oc2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine?
The InChIKey is ISUXBCUPXAAUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-5-1-3-6(4-2-5)13-8-11-7(10)14-12-8/h1-4H,(H2,10,11,12).
What are the key properties of 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine?
3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131589048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).