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

C11H10FN3OS — CID 65273674

IUPAC4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
SMILESNc1ccc(Oc2nc(C3CC3)ns2)c(F)c1
InChIInChI=1S/C11H10FN3OS/c12-8-5-7(13)3-4-9(8)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyGBERMZPYJPXTDM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.93
Rot. Bonds3

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

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline (PubChem CID 65273674) 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]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
PubChem CID65273674
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline
SMILESNc1ccc(Oc2nc(C3CC3)ns2)c(F)c1
InChIInChI=1S/C11H10FN3OS/c12-8-5-7(13)3-4-9(8)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2,13H2
InChIKeyGBERMZPYJPXTDM-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
The IUPAC name of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline (CID 65273674) is 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
The canonical SMILES for 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline is Nc1ccc(Oc2nc(C3CC3)ns2)c(F)c1.
What is the InChIKey of 4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-fluoroaniline?
The InChIKey is GBERMZPYJPXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-5-7(13)3-4-9(8)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]-3-fluoroaniline?
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-3-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]-3-fluoroaniline is sourced from PubChem (CID 65273674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).