1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone

C15H13NOS — CID 105108004

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)C1CSc2ccccc21
InChIInChI=1S/C15H13NOS/c17-14(9-11-5-3-4-8-16-11)13-10-18-15-7-2-1-6-12(13)15/h1-8,13H,9-10H2
InChIKeyPTFJHDGANSQZOP-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.08
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone (PubChem CID 105108004) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
PubChem CID105108004
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)C1CSc2ccccc21
InChIInChI=1S/C15H13NOS/c17-14(9-11-5-3-4-8-16-11)13-10-18-15-7-2-1-6-12(13)15/h1-8,13H,9-10H2
InChIKeyPTFJHDGANSQZOP-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108733
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 105085086
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 102865723
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75504594
N-[[2-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211716
N-(2-bromo-3-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 113268388
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
2,3-dihydro-1-benzothiophen-3-yl(quinolin-6-yl)methanone
CID 105121584

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone (CID 105108004) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
The InChIKey is PTFJHDGANSQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-14(9-11-5-3-4-8-16-11)13-10-18-15-7-2-1-6-12(13)15/h1-8,13H,9-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone?
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone has a molecular weight of 255.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 105108004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).