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

C10H11F3N2O2S — CID 26986041

IUPAC2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)7-6(8(16)17)18-9(14-7)15-4-2-1-3-5-15/h1-5H2,(H,16,17)
InChIKeyGETINQADFJCORZ-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.85
Rot. Bonds2

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

2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 26986041) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID26986041
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)7-6(8(16)17)18-9(14-7)15-4-2-1-3-5-15/h1-5H2,(H,16,17)
InChIKeyGETINQADFJCORZ-UHFFFAOYSA-N
XLogP2.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-yl-4-(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 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 26986041) is 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GETINQADFJCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)7-6(8(16)17)18-9(14-7)15-4-2-1-3-5-15/h1-5H2,(H,16,17).
What are the key properties of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 26986041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).