1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid

C12H18N2O2S — CID 63124112

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCCc1csc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C12H18N2O2S/c1-3-9-8-17-11(13-9)14-6-4-12(2,5-7-14)10(15)16/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyJCWGNERIUXSYDF-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid

1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124112) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124112
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCCc1csc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C12H18N2O2S/c1-3-9-8-17-11(13-9)14-6-4-12(2,5-7-14)10(15)16/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyJCWGNERIUXSYDF-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-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-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid (CID 63124112) is 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid is CCc1csc(N2CCC(C)(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is JCWGNERIUXSYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-9-8-17-11(13-9)14-6-4-12(2,5-7-14)10(15)16/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid?
1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).