3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one

C10H16N2OS — CID 63312601

IUPAC3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCC1CCCCN1
InChIInChI=1S/C10H16N2OS/c13-10-12(7-8-14-10)6-4-9-3-1-2-5-11-9/h7-9,11H,1-6H2
InChIKeyVWGRRYLYACGNBB-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.44
Rot. Bonds3

About 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one

3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one (PubChem CID 63312601) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one
PubChem CID63312601
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCC1CCCCN1
InChIInChI=1S/C10H16N2OS/c13-10-12(7-8-14-10)6-4-9-3-1-2-5-11-9/h7-9,11H,1-6H2
InChIKeyVWGRRYLYACGNBB-UHFFFAOYSA-N
XLogP1.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one (CID 63312601) is 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one is O=c1sccn1CCC1CCCCN1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one?
The InChIKey is VWGRRYLYACGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-10-12(7-8-14-10)6-4-9-3-1-2-5-11-9/h7-9,11H,1-6H2.
What are the key properties of 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one?
3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).