1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine

C12H10BrF3N2S — CID 105014893

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nccs1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H10BrF3N2S/c13-9-2-1-7(12(14,15)16)5-8(9)10(17)6-11-18-3-4-19-11/h1-5,10H,6,17H2
InChIKeyXFFDQIPUMJEBGY-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.17
Rot. Bonds3

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine

1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105014893) has the molecular formula C12H10BrF3N2S and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105014893
Molecular FormulaC12H10BrF3N2S
Molecular Weight351.19 g/mol
Exact Mass349.97
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESNC(Cc1nccs1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H10BrF3N2S/c13-9-2-1-7(12(14,15)16)5-8(9)10(17)6-11-18-3-4-19-11/h1-5,10H,6,17H2
InChIKeyXFFDQIPUMJEBGY-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019185
2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105169295
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996943
1-[2-bromo-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 104992641
1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 114894483
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313733
(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
1-(4-bromo-2-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105014989
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 115786406
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 105014893) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine is NC(Cc1nccs1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is XFFDQIPUMJEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2S/c13-9-2-1-7(12(14,15)16)5-8(9)10(17)6-11-18-3-4-19-11/h1-5,10H,6,17H2.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine?
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 351.19 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105014893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).