N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C13H19F3N2S — CID 64757228

IUPACN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2S/c1-3-17-12(11-18-9(2)8-19-11)6-4-5-10(7-12)13(14,15)16/h8,10,17H,3-7H2,1-2H3
InChIKeyFKBJUSHYAGUIAN-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.01
Rot. Bonds3

About N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757228) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757228
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2S/c1-3-17-12(11-18-9(2)8-19-11)6-4-5-10(7-12)13(14,15)16/h8,10,17H,3-7H2,1-2H3
InChIKeyFKBJUSHYAGUIAN-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757228) is N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is CCNC1(c2nc(C)cs2)CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FKBJUSHYAGUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-3-17-12(11-18-9(2)8-19-11)6-4-5-10(7-12)13(14,15)16/h8,10,17H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).