4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid

C12H14F3NO2S — CID 106784494

IUPAC4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H14F3NO2S/c1-6-2-3-7(10(17)18)8(4-6)9-5-16-11(19-9)12(13,14)15/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyYDJRPSRISBPONH-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.77
Rot. Bonds2

About 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid

4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 106784494) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid
PubChem CID106784494
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H14F3NO2S/c1-6-2-3-7(10(17)18)8(4-6)9-5-16-11(19-9)12(13,14)15/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeyYDJRPSRISBPONH-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
CID 106784212
4-methyl-2-(5-methylthiophen-2-yl)cyclohexane-1-carboxylic acid
CID 81020785
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130580399
2-(2-methoxy-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130590503
4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020389
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
CID 106784187
5-(3-chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784219
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
CID 106784550
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
CID 106784544
[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid (CID 106784494) is 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid?
The InChIKey is YDJRPSRISBPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-6-2-3-7(10(17)18)8(4-6)9-5-16-11(19-9)12(13,14)15/h5-8H,2-4H2,1H3,(H,17,18).
What are the key properties of 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid?
4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 293.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106784494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).