2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine

C12H11F3N2OS — CID 105030569

IUPAC2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1cncs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)18-9-3-1-8(2-4-9)11(16)5-10-6-17-7-19-10/h1-4,6-7,11H,5,16H2
InChIKeyFYMUFTMYJQZNLJ-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.28
Rot. Bonds4

About 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine

2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 105030569) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID105030569
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1cncs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)18-9-3-1-8(2-4-9)11(16)5-10-6-17-7-19-10/h1-4,6-7,11H,5,16H2
InChIKeyFYMUFTMYJQZNLJ-UHFFFAOYSA-N
XLogP3.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 105030569) is 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine is NC(Cc1cncs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is FYMUFTMYJQZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)18-9-3-1-8(2-4-9)11(16)5-10-6-17-7-19-10/h1-4,6-7,11H,5,16H2.
What are the key properties of 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine?
2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 288.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 105030569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).