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

C8H10N2OS — CID 574608

IUPAC1-(1,3-thiazol-2-yl)piperidin-2-one
SMILESO=C1CCCCN1c1nccs1
InChIInChI=1S/C8H10N2OS/c11-7-3-1-2-5-10(7)8-9-4-6-12-8/h4,6H,1-3,5H2
InChIKeyWMBUWJOKIGIGEA-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.66
Rot. Bonds1

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

1-(1,3-thiazol-2-yl)piperidin-2-one (PubChem CID 574608) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)piperidin-2-one
PubChem CID574608
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(1,3-thiazol-2-yl)piperidin-2-one
SMILESO=C1CCCCN1c1nccs1
InChIInChI=1S/C8H10N2OS/c11-7-3-1-2-5-10(7)8-9-4-6-12-8/h4,6H,1-3,5H2
InChIKeyWMBUWJOKIGIGEA-UHFFFAOYSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)piperidin-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)piperidin-2-one (CID 574608) is 1-(1,3-thiazol-2-yl)piperidin-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)piperidin-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)piperidin-2-one is O=C1CCCCN1c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)piperidin-2-one?
The InChIKey is WMBUWJOKIGIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-7-3-1-2-5-10(7)8-9-4-6-12-8/h4,6H,1-3,5H2.
What are the key properties of 1-(1,3-thiazol-2-yl)piperidin-2-one?
1-(1,3-thiazol-2-yl)piperidin-2-one has a molecular weight of 182.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)piperidin-2-one is sourced from PubChem (CID 574608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).