3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

C13H19F3N2S — CID 106782325

IUPAC3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N2S/c1-8-4-11(2,3)7-12(17,5-8)9-6-18-10(19-9)13(14,15)16/h6,8H,4-5,7,17H2,1-3H3
InChIKeyNHCYKJFGCVZYBL-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.16
Rot. Bonds1

About 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106782325) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106782325
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N2S/c1-8-4-11(2,3)7-12(17,5-8)9-6-18-10(19-9)13(14,15)16/h6,8H,4-5,7,17H2,1-3H3
InChIKeyNHCYKJFGCVZYBL-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106782325) is 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CC1CC(C)(C)CC(N)(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is NHCYKJFGCVZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-8-4-11(2,3)7-12(17,5-8)9-6-18-10(19-9)13(14,15)16/h6,8H,4-5,7,17H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106782325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).