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

C11H9BrFN3OS — CID 103483696

IUPAC5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H9BrFN3OS/c12-6-3-8(14)9(4-7(6)13)17-11-15-10(16-18-11)5-1-2-5/h3-5H,1-2,14H2
InChIKeyWRWRISPSNSGXEO-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.69
Rot. Bonds3

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

5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline (PubChem CID 103483696) has the molecular formula C11H9BrFN3OS and a molecular weight of 330.18 g/mol. Its IUPAC name is 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
PubChem CID103483696
Molecular FormulaC11H9BrFN3OS
Molecular Weight330.18 g/mol
Exact Mass328.96
IUPAC Name5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H9BrFN3OS/c12-6-3-8(14)9(4-7(6)13)17-11-15-10(16-18-11)5-1-2-5/h3-5H,1-2,14H2
InChIKeyWRWRISPSNSGXEO-UHFFFAOYSA-N
XLogP3.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.69
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 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
The IUPAC name of 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline (CID 103483696) is 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline is Nc1cc(Br)c(F)cc1Oc1nc(C2CC2)ns1.
What is the InChIKey of 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
The InChIKey is WRWRISPSNSGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3OS/c12-6-3-8(14)9(4-7(6)13)17-11-15-10(16-18-11)5-1-2-5/h3-5H,1-2,14H2.
What are the key properties of 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline?
5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline has a molecular weight of 330.18 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-4-fluoroaniline is sourced from PubChem (CID 103483696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).