2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone

C17H15NOS — CID 107502507

IUPAC2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2csc3ccccc23)cc(C)n1
InChIInChI=1S/C17H15NOS/c1-11-7-13(8-12(2)18-11)16(19)9-14-10-20-17-6-4-3-5-15(14)17/h3-8,10H,9H2,1-2H3
InChIKeyDHOWQTZMFRXQRP-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.34
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone

2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone (PubChem CID 107502507) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
PubChem CID107502507
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2csc3ccccc23)cc(C)n1
InChIInChI=1S/C17H15NOS/c1-11-7-13(8-12(2)18-11)16(19)9-14-10-20-17-6-4-3-5-15(14)17/h3-8,10H,9H2,1-2H3
InChIKeyDHOWQTZMFRXQRP-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105085054
2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
CID 14288885
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
2-(1-benzothiophen-3-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 114023138

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone (CID 107502507) is 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone is Cc1cc(C(=O)Cc2csc3ccccc23)cc(C)n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone?
The InChIKey is DHOWQTZMFRXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-11-7-13(8-12(2)18-11)16(19)9-14-10-20-17-6-4-3-5-15(14)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone?
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone has a molecular weight of 281.38 g/mol, XLogP of 4.34, 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-(2,6-dimethyl-4-pyridinyl)ethanone is sourced from PubChem (CID 107502507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).