1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one

C15H17NOS — CID 105089327

IUPAC1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
SMILESCCc1ccc(CC(=O)CCc2ccccn2)s1
InChIInChI=1S/C15H17NOS/c1-2-14-8-9-15(18-14)11-13(17)7-6-12-5-3-4-10-16-12/h3-5,8-10H,2,6-7,11H2,1H3
InChIKeyLQCMOMMLHUGWDT-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.45
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one

1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one (PubChem CID 105089327) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
PubChem CID105089327
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
SMILESCCc1ccc(CC(=O)CCc2ccccn2)s1
InChIInChI=1S/C15H17NOS/c1-2-14-8-9-15(18-14)11-13(17)7-6-12-5-3-4-10-16-12/h3-5,8-10H,2,6-7,11H2,1H3
InChIKeyLQCMOMMLHUGWDT-UHFFFAOYSA-N
XLogP3.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dipyridin-2-ylbutan-2-one
CID 105108067
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
1-(5-bromothiophen-2-yl)-3-pyridin-2-ylpropan-2-one
CID 62620028
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
CID 105084640
5-methyl-1-pyridin-2-yloctan-3-one
CID 105091398
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105102243
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191273
1-pyridin-2-yldecan-2-one
CID 62622628

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one (CID 105089327) is 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one is CCc1ccc(CC(=O)CCc2ccccn2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one?
The InChIKey is LQCMOMMLHUGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-14-8-9-15(18-14)11-13(17)7-6-12-5-3-4-10-16-12/h3-5,8-10H,2,6-7,11H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one?
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 105089327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).