2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one

C11H11NOS — CID 53445497

IUPAC2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one
SMILESCCc1csc(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C11H11NOS/c1-2-8-5-11(14-7-8)10-6-9(13)3-4-12-10/h3-7H,2H2,1H3,(H,12,13)
InChIKeyBXGLHEIZMHKWCM-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one

2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one (PubChem CID 53445497) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one
PubChem CID53445497
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one
SMILESCCc1csc(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C11H11NOS/c1-2-8-5-11(14-7-8)10-6-9(13)3-4-12-10/h3-7H,2H2,1H3,(H,12,13)
InChIKeyBXGLHEIZMHKWCM-UHFFFAOYSA-N
XLogP2.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethylthiophen-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-(4-ethylthiophen-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one (CID 53445497) is 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one is CCc1csc(-c2cc(=O)cc[nH]2)c1.
What is the InChIKey of 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one?
The InChIKey is BXGLHEIZMHKWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-8-5-11(14-7-8)10-6-9(13)3-4-12-10/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one?
2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one has a molecular weight of 205.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylthiophen-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 53445497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).