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

C12H17F3N2S — CID 106782392

IUPAC2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-10(2)5-3-4-6-11(10,16)8-7-17-9(18-8)12(13,14)15/h7H,3-6,16H2,1-2H3
InChIKeyJOXBNSNOIBXQBP-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.92
Rot. Bonds1

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

2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106782392) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106782392
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-10(2)5-3-4-6-11(10,16)8-7-17-9(18-8)12(13,14)15/h7H,3-6,16H2,1-2H3
InChIKeyJOXBNSNOIBXQBP-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106782392) is 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CC1(C)CCCCC1(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is JOXBNSNOIBXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-10(2)5-3-4-6-11(10,16)8-7-17-9(18-8)12(13,14)15/h7H,3-6,16H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106782392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).