4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline

C9H6BrFN2OS — CID 157047128

IUPAC4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline
SMILESNc1ccc(Oc2nc(Br)cs2)cc1F
InChIInChI=1S/C9H6BrFN2OS/c10-8-4-15-9(13-8)14-5-1-2-7(12)6(11)3-5/h1-4H,12H2
InChIKeyWZBGCVCVPWFPCV-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.42
Rot. Bonds2

About 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline

4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline (PubChem CID 157047128) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline
PubChem CID157047128
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline
SMILESNc1ccc(Oc2nc(Br)cs2)cc1F
InChIInChI=1S/C9H6BrFN2OS/c10-8-4-15-9(13-8)14-5-1-2-7(12)6(11)3-5/h1-4H,12H2
InChIKeyWZBGCVCVPWFPCV-UHFFFAOYSA-N
XLogP3.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline?
The IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline (CID 157047128) is 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline.
What is the SMILES notation for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline?
The canonical SMILES for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline is Nc1ccc(Oc2nc(Br)cs2)cc1F.
What is the InChIKey of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline?
The InChIKey is WZBGCVCVPWFPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c10-8-4-15-9(13-8)14-5-1-2-7(12)6(11)3-5/h1-4H,12H2.
What are the key properties of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline?
4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline has a molecular weight of 289.13 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline is sourced from PubChem (CID 157047128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).