3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C11H16N2O3S — CID 43416015

IUPAC3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H16N2O3S/c1-8-7-17-11(16)13(8)6-10(15)12-4-2-9(14)3-5-12/h7,9,14H,2-6H2,1H3
InChIKeyKGYZFLWZRAHKSE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.20
Rot. Bonds2

About 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43416015) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43416015
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H16N2O3S/c1-8-7-17-11(16)13(8)6-10(15)12-4-2-9(14)3-5-12/h7,9,14H,2-6H2,1H3
InChIKeyKGYZFLWZRAHKSE-UHFFFAOYSA-N
XLogP0.20
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one 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 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 43416015) is 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCC(O)CC1.
What is the InChIKey of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is KGYZFLWZRAHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-7-17-11(16)13(8)6-10(15)12-4-2-9(14)3-5-12/h7,9,14H,2-6H2,1H3.
What are the key properties of 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 256.33 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43416015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).