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

C13H14BrFN2S — CID 82967723

IUPAC1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2ccc(Br)cc2F)cs1
InChIInChI=1S/C13H14BrFN2S/c1-7(2)12(16)13-17-11(6-18-13)9-4-3-8(14)5-10(9)15/h3-7,12H,16H2,1-2H3
InChIKeySSYBGDPWVUZEFR-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.37
Rot. Bonds3

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

1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 82967723) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID82967723
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2ccc(Br)cc2F)cs1
InChIInChI=1S/C13H14BrFN2S/c1-7(2)12(16)13-17-11(6-18-13)9-4-3-8(14)5-10(9)15/h3-7,12H,16H2,1-2H3
InChIKeySSYBGDPWVUZEFR-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82963289
1-[4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338792
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
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
1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114082841
1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 116867670
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 82967342
(1S)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-amine;hydrochloride
CID 51039708
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 82963453

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 82967723) is 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1nc(-c2ccc(Br)cc2F)cs1.
What is the InChIKey of 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is SSYBGDPWVUZEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-7(2)12(16)13-17-11(6-18-13)9-4-3-8(14)5-10(9)15/h3-7,12H,16H2,1-2H3.
What are the key properties of 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 329.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 82967723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).