4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C11H12F3NO2S — CID 115051453

IUPAC4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)nc1C1CCCCC1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)10-15-7(8(18-10)9(16)17)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17)
InChIKeyRKKCFFAMSHTURU-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.91
Rot. Bonds2

About 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115051453) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID115051453
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)nc1C1CCCCC1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)10-15-7(8(18-10)9(16)17)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17)
InChIKeyRKKCFFAMSHTURU-UHFFFAOYSA-N
XLogP3.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 115051453) is 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C(F)(F)F)nc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is RKKCFFAMSHTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)10-15-7(8(18-10)9(16)17)6-4-2-1-3-5-6/h6H,1-5H2,(H,16,17).
What are the key properties of 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115051453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).