2-(2-methylthiophen-3-yl)-1H-pyridin-4-one

C10H9NOS — CID 53445762

IUPAC2-(2-methylthiophen-3-yl)-1H-pyridin-4-one
SMILESCc1sccc1-c1cc(=O)cc[nH]1
InChIInChI=1S/C10H9NOS/c1-7-9(3-5-13-7)10-6-8(12)2-4-11-10/h2-6H,1H3,(H,11,12)
InChIKeyGIKZMRLHKUSTFA-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.41
Rot. Bonds1

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

2-(2-methylthiophen-3-yl)-1H-pyridin-4-one (PubChem CID 53445762) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)-1H-pyridin-4-one
PubChem CID53445762
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-(2-methylthiophen-3-yl)-1H-pyridin-4-one
SMILESCc1sccc1-c1cc(=O)cc[nH]1
InChIInChI=1S/C10H9NOS/c1-7-9(3-5-13-7)10-6-8(12)2-4-11-10/h2-6H,1H3,(H,11,12)
InChIKeyGIKZMRLHKUSTFA-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylthiophen-3-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-(2-methylthiophen-3-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one (CID 53445762) is 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one is Cc1sccc1-c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one?
The InChIKey is GIKZMRLHKUSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7-9(3-5-13-7)10-6-8(12)2-4-11-10/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one?
2-(2-methylthiophen-3-yl)-1H-pyridin-4-one has a molecular weight of 191.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiophen-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 53445762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).