1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C13H20N2O2S — CID 71938537

IUPAC1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCOC1CCN(C(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-12-4-6-15(7-5-12)13(16)8-11-9-18-10(2)14-11/h9,12H,3-8H2,1-2H3
InChIKeyHCPYDDUKAXZDFU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 71938537) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID71938537
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCOC1CCN(C(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-12-4-6-15(7-5-12)13(16)8-11-9-18-10(2)14-11/h9,12H,3-8H2,1-2H3
InChIKeyHCPYDDUKAXZDFU-UHFFFAOYSA-N
XLogP2.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone 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-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 71938537) is 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is CCOC1CCN(C(=O)Cc2csc(C)n2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is HCPYDDUKAXZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-12-4-6-15(7-5-12)13(16)8-11-9-18-10(2)14-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 268.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 71938537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).