4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline

C10H10FN3OS — CID 65273675

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
SMILESCCc1nsc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-8-4-3-6(12)5-7(8)11/h3-5H,2,12H2,1H3
InChIKeyHEEUGPZEPOFIKJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds3

About 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline (PubChem CID 65273675) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
PubChem CID65273675
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
SMILESCCc1nsc(Oc2ccc(N)cc2F)n1
InChIInChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-8-4-3-6(12)5-7(8)11/h3-5H,2,12H2,1H3
InChIKeyHEEUGPZEPOFIKJ-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline 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 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline (CID 65273675) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline is CCc1nsc(Oc2ccc(N)cc2F)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
The InChIKey is HEEUGPZEPOFIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-2-9-13-10(16-14-9)15-8-4-3-6(12)5-7(8)11/h3-5H,2,12H2,1H3.
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline has a molecular weight of 239.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline is sourced from PubChem (CID 65273675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).