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

C11H10FN3OS — CID 65273789

IUPAC4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
SMILESNc1ccc(Oc2nc(C3CC3)ns2)cc1F
InChIInChI=1S/C11H10FN3OS/c12-8-5-7(3-4-9(8)13)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyXPYQKASAIICILV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.93
Rot. Bonds3

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

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline (PubChem CID 65273789) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
PubChem CID65273789
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline
SMILESNc1ccc(Oc2nc(C3CC3)ns2)cc1F
InChIInChI=1S/C11H10FN3OS/c12-8-5-7(3-4-9(8)13)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyXPYQKASAIICILV-UHFFFAOYSA-N
XLogP2.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

4-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65272957
3-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273018
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273141
2-Fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273198
5-Fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
2,5-Difluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273262
3-Fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273673
4-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273674
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273675
4-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273676
4-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
CID 65273729
3-Fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273730

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline (CID 65273789) is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline is Nc1ccc(Oc2nc(C3CC3)ns2)cc1F.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
The InChIKey is XPYQKASAIICILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-5-7(3-4-9(8)13)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2.
What are the key properties of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline?
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline has a molecular weight of 251.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-fluoroaniline is sourced from PubChem (CID 65273789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).