2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone

C16H13NOS — CID 105085021

IUPAC2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1C(=O)Cc1csc2ccccc12
InChIInChI=1S/C16H13NOS/c1-11-13(6-4-8-17-11)15(18)9-12-10-19-16-7-3-2-5-14(12)16/h2-8,10H,9H2,1H3
InChIKeyQQZLQDBOFSZBCO-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone

2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone (PubChem CID 105085021) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
PubChem CID105085021
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1C(=O)Cc1csc2ccccc12
InChIInChI=1S/C16H13NOS/c1-11-13(6-4-8-17-11)15(18)9-12-10-19-16-7-3-2-5-14(12)16/h2-8,10H,9H2,1H3
InChIKeyQQZLQDBOFSZBCO-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105085054
2-(1-benzothiophen-3-yl)-1-pyrimidin-4-ylethanone
CID 63988936
2-(1-benzothiophen-3-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 63744676
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 65360118
2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 114023138
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105089353
2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124123

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone (CID 105085021) is 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone is Cc1ncccc1C(=O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is QQZLQDBOFSZBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-13(6-4-8-17-11)15(18)9-12-10-19-16-7-3-2-5-14(12)16/h2-8,10H,9H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone?
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105085021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).