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

C13H13F3N2S — CID 115091505

IUPAC1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(Cc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-8(17)11-7-18-12(19-11)6-9-4-2-3-5-10(9)13(14,15)16/h2-5,7-8H,6,17H2,1H3
InChIKeyHUABBTNECQWLJK-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.77
Rot. Bonds3

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

1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 115091505) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID115091505
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(Cc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-8(17)11-7-18-12(19-11)6-9-4-2-3-5-10(9)13(14,15)16/h2-5,7-8H,6,17H2,1H3
InChIKeyHUABBTNECQWLJK-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62830366
5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 68763516
1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115506319
1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 130949962
1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
CID 62653547
1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693439
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42641231
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
ethyl 4-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylate
CID 71071577
N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272583
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine (CID 115091505) is 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(Cc2ccccc2C(F)(F)F)s1.
What is the InChIKey of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HUABBTNECQWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8(17)11-7-18-12(19-11)6-9-4-2-3-5-10(9)13(14,15)16/h2-5,7-8H,6,17H2,1H3.
What are the key properties of 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115091505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).