5-(1,3-thiazol-5-yl)-1H-pyridin-2-one

C8H6N2OS — CID 90242272

IUPAC5-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2cncs2)c[nH]1
InChIInChI=1S/C8H6N2OS/c11-8-2-1-6(3-10-8)7-4-9-5-12-7/h1-5H,(H,10,11)
InChIKeyILSDSQTWGUOHSX-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.50
Rot. Bonds1

About 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one

5-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 90242272) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID90242272
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name5-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2cncs2)c[nH]1
InChIInChI=1S/C8H6N2OS/c11-8-2-1-6(3-10-8)7-4-9-5-12-7/h1-5H,(H,10,11)
InChIKeyILSDSQTWGUOHSX-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,3-thiazol-5-yl)-1H-pyridin-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 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 90242272) is 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one is O=c1ccc(-c2cncs2)c[nH]1.
What is the InChIKey of 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is ILSDSQTWGUOHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-8-2-1-6(3-10-8)7-4-9-5-12-7/h1-5H,(H,10,11).
What are the key properties of 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
5-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 178.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 90242272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).