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

C12H17F3N2S — CID 106782374

IUPAC3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CCCC(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H17F3N2S/c1-10(2)4-3-5-11(16,7-10)8-6-17-9(18-8)12(13,14)15/h6H,3-5,7,16H2,1-2H3
InChIKeyGSWRFEVBFVRAHP-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.92
Rot. Bonds1

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

3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106782374) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106782374
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCC1(C)CCCC(N)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H17F3N2S/c1-10(2)4-3-5-11(16,7-10)8-6-17-9(18-8)12(13,14)15/h6H,3-5,7,16H2,1-2H3
InChIKeyGSWRFEVBFVRAHP-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 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106782374) is 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CC1(C)CCCC(N)(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is GSWRFEVBFVRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-10(2)4-3-5-11(16,7-10)8-6-17-9(18-8)12(13,14)15/h6H,3-5,7,16H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
3,3-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 3,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106782374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).