1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone

C15H11NOS — CID 61407072

IUPAC1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cc2ccccc2s1
InChIInChI=1S/C15H11NOS/c17-13(10-12-6-3-4-8-16-12)15-9-11-5-1-2-7-14(11)18-15/h1-9H,10H2
InChIKeyHDGMMAQPNHQTRX-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.72
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone

1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone (PubChem CID 61407072) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
PubChem CID61407072
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cc2ccccc2s1
InChIInChI=1S/C15H11NOS/c17-13(10-12-6-3-4-8-16-12)15-9-11-5-1-2-7-14(11)18-15/h1-9H,10H2
InChIKeyHDGMMAQPNHQTRX-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 111784598
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967597
1-(1-benzothiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795749
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
1-benzothiophen-2-yl-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3853391
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
1-(1-benzothiophen-2-yl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968220
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
CID 102589864
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone (CID 61407072) is 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone?
The InChIKey is HDGMMAQPNHQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-13(10-12-6-3-4-8-16-12)15-9-11-5-1-2-7-14(11)18-15/h1-9H,10H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone?
1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone has a molecular weight of 253.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 61407072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).