2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C13H19F3N2S — CID 105159105

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1nc(CC(N)C2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H19F3N2S/c1-8-18-11(7-19-8)6-12(17)9-3-2-4-10(5-9)13(14,15)16/h7,9-10,12H,2-6,17H2,1H3
InChIKeyWIZDKXBPPTYPHA-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105159105) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105159105
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1nc(CC(N)C2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H19F3N2S/c1-8-18-11(7-19-8)6-12(17)9-3-2-4-10(5-9)13(14,15)16/h7,9-10,12H,2-6,17H2,1H3
InChIKeyWIZDKXBPPTYPHA-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105161017
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
2-cyclopropyl-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112567195
N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
CID 112570119
[4-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-yl]hydrazine
CID 105214723
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55517576
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105155633

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105159105) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is Cc1nc(CC(N)C2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is WIZDKXBPPTYPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-8-18-11(7-19-8)6-12(17)9-3-2-4-10(5-9)13(14,15)16/h7,9-10,12H,2-6,17H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 292.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105159105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).