2-(1,3-thiazol-2-yl)-1H-pyridin-4-one

C8H6N2OS — CID 142833731

IUPAC2-(1,3-thiazol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2nccs2)c1
InChIInChI=1S/C8H6N2OS/c11-6-1-2-9-7(5-6)8-10-3-4-12-8/h1-5H,(H,9,11)
InChIKeyMEOIWRVWBYNHHC-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.50
Rot. Bonds1

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

2-(1,3-thiazol-2-yl)-1H-pyridin-4-one (PubChem CID 142833731) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1H-pyridin-4-one
PubChem CID142833731
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name2-(1,3-thiazol-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2nccs2)c1
InChIInChI=1S/C8H6N2OS/c11-6-1-2-9-7(5-6)8-10-3-4-12-8/h1-5H,(H,9,11)
InChIKeyMEOIWRVWBYNHHC-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 2-(1,3-thiazol-2-yl)-1H-pyridin-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 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one (CID 142833731) is 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2nccs2)c1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one?
The InChIKey is MEOIWRVWBYNHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-6-1-2-9-7(5-6)8-10-3-4-12-8/h1-5H,(H,9,11).
What are the key properties of 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one?
2-(1,3-thiazol-2-yl)-1H-pyridin-4-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 2-(1,3-thiazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 142833731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).