2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline

C15H10BrFN2S — CID 82966780

IUPAC2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccccc1-c1nc(-c2cc(Br)ccc2F)cs1
InChIInChI=1S/C15H10BrFN2S/c16-9-5-6-12(17)11(7-9)14-8-20-15(19-14)10-3-1-2-4-13(10)18/h1-8H,18H2
InChIKeyXUGSHHYOWVEHNC-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.96
Rot. Bonds2

About 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline

2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 82966780) has the molecular formula C15H10BrFN2S and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
PubChem CID82966780
Molecular FormulaC15H10BrFN2S
Molecular Weight349.23 g/mol
Exact Mass347.97
IUPAC Name2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
SMILESNc1ccccc1-c1nc(-c2cc(Br)ccc2F)cs1
InChIInChI=1S/C15H10BrFN2S/c16-9-5-6-12(17)11(7-9)14-8-20-15(19-14)10-3-1-2-4-13(10)18/h1-8H,18H2
InChIKeyXUGSHHYOWVEHNC-UHFFFAOYSA-N
XLogP4.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 82973465
2-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 114887574
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965145
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline (CID 82966780) is 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline is Nc1ccccc1-c1nc(-c2cc(Br)ccc2F)cs1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is XUGSHHYOWVEHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2S/c16-9-5-6-12(17)11(7-9)14-8-20-15(19-14)10-3-1-2-4-13(10)18/h1-8H,18H2.
What are the key properties of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline?
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 349.23 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 82966780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).