1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H19F3N2S — CID 64754913

IUPAC1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)c1csc(C2(N)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2S/c1-8(2)10-7-19-11(18-10)12(17)5-3-9(4-6-12)13(14,15)16/h7-9H,3-6,17H2,1-2H3
InChIKeyGIHPMYYTJQVAFA-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.17
Rot. Bonds2

About 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754913) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754913
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)c1csc(C2(N)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2S/c1-8(2)10-7-19-11(18-10)12(17)5-3-9(4-6-12)13(14,15)16/h7-9H,3-6,17H2,1-2H3
InChIKeyGIHPMYYTJQVAFA-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754913) is 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)c1csc(C2(N)CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GIHPMYYTJQVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-8(2)10-7-19-11(18-10)12(17)5-3-9(4-6-12)13(14,15)16/h7-9H,3-6,17H2,1-2H3.
What are the key properties of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).