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

C9H8N2OS — CID 59854555

IUPAC5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C9H8N2OS/c1-6-2-7(9(12)11-3-6)8-4-10-5-13-8/h2-5H,1H3,(H,11,12)
InChIKeyPZGZOVBEDBDGRT-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

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

5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 59854555) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID59854555
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C9H8N2OS/c1-6-2-7(9(12)11-3-6)8-4-10-5-13-8/h2-5H,1H3,(H,11,12)
InChIKeyPZGZOVBEDBDGRT-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 59854555) is 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is Cc1c[nH]c(=O)c(-c2cncs2)c1.
What is the InChIKey of 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is PZGZOVBEDBDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-2-7(9(12)11-3-6)8-4-10-5-13-8/h2-5H,1H3,(H,11,12).
What are the key properties of 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 59854555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).