1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone

C18H15NOS — CID 150487312

IUPAC1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccsc2-c2ccccn2)cc1
InChIInChI=1S/C18H15NOS/c1-13-5-7-14(8-6-13)17(20)12-15-9-11-21-18(15)16-4-2-3-10-19-16/h2-11H,12H2,1H3
InChIKeyHVBFPLAYMVRQIA-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone

1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone (PubChem CID 150487312) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone
PubChem CID150487312
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone
SMILESCc1ccc(C(=O)Cc2ccsc2-c2ccccn2)cc1
InChIInChI=1S/C18H15NOS/c1-13-5-7-14(8-6-13)17(20)12-15-9-11-21-18(15)16-4-2-3-10-19-16/h2-11H,12H2,1H3
InChIKeyHVBFPLAYMVRQIA-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone 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 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone (CID 150487312) is 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone is Cc1ccc(C(=O)Cc2ccsc2-c2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone?
The InChIKey is HVBFPLAYMVRQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-13-5-7-14(8-6-13)17(20)12-15-9-11-21-18(15)16-4-2-3-10-19-16/h2-11H,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone?
1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone has a molecular weight of 293.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-pyridin-2-ylthiophen-3-yl)ethanone is sourced from PubChem (CID 150487312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).