1-benzothiophen-2-yl(pyrazin-2-yl)methanone

C13H8N2OS — CID 114973147

IUPAC1-benzothiophen-2-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)c1cc2ccccc2s1
InChIInChI=1S/C13H8N2OS/c16-13(10-8-14-5-6-15-10)12-7-9-3-1-2-4-11(9)17-12/h1-8H
InChIKeyVXDHJQZVEVUDNE-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.92
Rot. Bonds2

About 1-benzothiophen-2-yl(pyrazin-2-yl)methanone

1-benzothiophen-2-yl(pyrazin-2-yl)methanone (PubChem CID 114973147) has the molecular formula C13H8N2OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(pyrazin-2-yl)methanone
PubChem CID114973147
Molecular FormulaC13H8N2OS
Molecular Weight240.29 g/mol
Exact Mass240.04
IUPAC Name1-benzothiophen-2-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)c1cc2ccccc2s1
InChIInChI=1S/C13H8N2OS/c16-13(10-8-14-5-6-15-10)12-7-9-3-1-2-4-11(9)17-12/h1-8H
InChIKeyVXDHJQZVEVUDNE-UHFFFAOYSA-N
XLogP2.92
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(pyrazin-2-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(pyrazin-2-yl)methanone (CID 114973147) is 1-benzothiophen-2-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(pyrazin-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(pyrazin-2-yl)methanone is O=C(c1cnccn1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(pyrazin-2-yl)methanone?
The InChIKey is VXDHJQZVEVUDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS/c16-13(10-8-14-5-6-15-10)12-7-9-3-1-2-4-11(9)17-12/h1-8H.
What are the key properties of 1-benzothiophen-2-yl(pyrazin-2-yl)methanone?
1-benzothiophen-2-yl(pyrazin-2-yl)methanone has a molecular weight of 240.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 114973147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).