4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

C12H17F3N2S — CID 106784508

IUPAC4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H17F3N2S/c1-11(2)4-3-8(16)7(5-11)9-6-17-10(18-9)12(13,14)15/h6-8H,3-5,16H2,1-2H3
InChIKeyDCSLMIOOOHIYPA-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.78
Rot. Bonds1

About 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106784508) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106784508
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H17F3N2S/c1-11(2)4-3-8(16)7(5-11)9-6-17-10(18-9)12(13,14)15/h6-8H,3-5,16H2,1-2H3
InChIKeyDCSLMIOOOHIYPA-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
CID 106784571
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
CID 106784212
2-(5-fluoro-3-pyridinyl)-4,4-dimethylcyclohexan-1-amine
CID 81014855
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013823
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
CID 106784544
4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid
CID 106784494
4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 81014981
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
CID 106784550
2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine
CID 107514706
4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine
CID 115375622
2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
CID 105396251
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106784508) is 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CC1(C)CCC(N)C(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is DCSLMIOOOHIYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-11(2)4-3-8(16)7(5-11)9-6-17-10(18-9)12(13,14)15/h6-8H,3-5,16H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106784508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).