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

C13H14BrFN2S — CID 116965145

IUPAC4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCC(N)CCc1nc(-c2cc(Br)ccc2F)cs1
InChIInChI=1S/C13H14BrFN2S/c1-8(16)2-5-13-17-12(7-18-13)10-6-9(14)3-4-11(10)15/h3-4,6-8H,2,5,16H2,1H3
InChIKeyXIROYVQLRYKZKB-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.99
Rot. Bonds4

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

4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 116965145) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID116965145
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCC(N)CCc1nc(-c2cc(Br)ccc2F)cs1
InChIInChI=1S/C13H14BrFN2S/c1-8(16)2-5-13-17-12(7-18-13)10-6-9(14)3-4-11(10)15/h3-4,6-8H,2,5,16H2,1H3
InChIKeyXIROYVQLRYKZKB-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5207559
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 82973465
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 116965145) is 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is CC(N)CCc1nc(-c2cc(Br)ccc2F)cs1.
What is the InChIKey of 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is XIROYVQLRYKZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-8(16)2-5-13-17-12(7-18-13)10-6-9(14)3-4-11(10)15/h3-4,6-8H,2,5,16H2,1H3.
What are the key properties of 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 329.24 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 116965145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).