1-(1,3-thiazol-2-yl)piperidin-4-one

C8H10N2OS — CID 18726960

IUPAC1-(1,3-thiazol-2-yl)piperidin-4-one
SMILESO=C1CCN(c2nccs2)CC1
InChIInChI=1S/C8H10N2OS/c11-7-1-4-10(5-2-7)8-9-3-6-12-8/h3,6H,1-2,4-5H2
InChIKeyWUYSQZNFGYMRFP-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.31
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)piperidin-4-one

1-(1,3-thiazol-2-yl)piperidin-4-one (PubChem CID 18726960) 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-4-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)piperidin-4-one
PubChem CID18726960
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(1,3-thiazol-2-yl)piperidin-4-one
SMILESO=C1CCN(c2nccs2)CC1
InChIInChI=1S/C8H10N2OS/c11-7-1-4-10(5-2-7)8-9-3-6-12-8/h3,6H,1-2,4-5H2
InChIKeyWUYSQZNFGYMRFP-UHFFFAOYSA-N
XLogP1.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-thiazol-2-yl)piperidin-4-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 1-(1,3-thiazol-2-yl)piperidin-4-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)piperidin-4-one (CID 18726960) is 1-(1,3-thiazol-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)piperidin-4-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)piperidin-4-one is O=C1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)piperidin-4-one?
The InChIKey is WUYSQZNFGYMRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-7-1-4-10(5-2-7)8-9-3-6-12-8/h3,6H,1-2,4-5H2.
What are the key properties of 1-(1,3-thiazol-2-yl)piperidin-4-one?
1-(1,3-thiazol-2-yl)piperidin-4-one has a molecular weight of 182.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)piperidin-4-one is sourced from PubChem (CID 18726960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).