2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone

C14H15NOS — CID 105089353

IUPAC2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccnc2C)s1
InChIInChI=1S/C14H15NOS/c1-3-11-6-7-12(17-11)9-14(16)13-5-4-8-15-10(13)2/h4-8H,3,9H2,1-2H3
InChIKeyJBUPPHNWESWUHF-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.44
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone

2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone (PubChem CID 105089353) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
PubChem CID105089353
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccnc2C)s1
InChIInChI=1S/C14H15NOS/c1-3-11-6-7-12(17-11)9-14(16)13-5-4-8-15-10(13)2/h4-8H,3,9H2,1-2H3
InChIKeyJBUPPHNWESWUHF-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
CID 55181131
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 114967794

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone (CID 105089353) is 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone is CCc1ccc(CC(=O)c2cccnc2C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is JBUPPHNWESWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-3-11-6-7-12(17-11)9-14(16)13-5-4-8-15-10(13)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 245.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105089353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).