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

C12H17F3N2S — CID 105178048

IUPAC2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cncs1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-3-1-2-8(4-9)11(16)5-10-6-17-7-18-10/h6-9,11H,1-5,16H2
InChIKeyDMCVNNNOADZVJU-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.38
Rot. Bonds3

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

2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105178048) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105178048
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cncs1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)9-3-1-2-8(4-9)11(16)5-10-6-17-7-18-10/h6-9,11H,1-5,16H2
InChIKeyDMCVNNNOADZVJU-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105178048) is 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is NC(Cc1cncs1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is DMCVNNNOADZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c13-12(14,15)9-3-1-2-8(4-9)11(16)5-10-6-17-7-18-10/h6-9,11H,1-5,16H2.
What are the key properties of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 278.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105178048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).