1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid

C11H11F3N2O3S — CID 84557089

IUPAC1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2scnc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)8-7(20-5-15-8)9(17)16-3-1-2-6(4-16)10(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyQDZHZAGUFSFRQC-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.10
Rot. Bonds2

About 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid

1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid (PubChem CID 84557089) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
PubChem CID84557089
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2scnc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)8-7(20-5-15-8)9(17)16-3-1-2-6(4-16)10(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyQDZHZAGUFSFRQC-UHFFFAOYSA-N
XLogP2.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-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 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid (CID 84557089) is 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2scnc2C(F)(F)F)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is QDZHZAGUFSFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)8-7(20-5-15-8)9(17)16-3-1-2-6(4-16)10(18)19/h5-6H,1-4H2,(H,18,19).
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid?
1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 308.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 84557089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).