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

C13H19F3N2S — CID 105171626

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1csc(CC(N)C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2S/c1-8-7-19-12(18-8)6-11(17)9-2-4-10(5-3-9)13(14,15)16/h7,9-11H,2-6,17H2,1H3
InChIKeyZUUDPXYSWAFFCV-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.69
Rot. Bonds3

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

2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105171626) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105171626
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCc1csc(CC(N)C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2S/c1-8-7-19-12(18-8)6-11(17)9-2-4-10(5-3-9)13(14,15)16/h7,9-11H,2-6,17H2,1H3
InChIKeyZUUDPXYSWAFFCV-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105171626) is 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is Cc1csc(CC(N)C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is ZUUDPXYSWAFFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-8-7-19-12(18-8)6-11(17)9-2-4-10(5-3-9)13(14,15)16/h7,9-11H,2-6,17H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-(4-methyl-1,3-thiazol-2-yl)-1-[4-(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-(4-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105171626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).