2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol

C17H11NOS2Se — CID 155642671

IUPAC2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol
SMILESOc1ccc2[se]c(/C=C/c3ccc(-c4cccs4)s3)nc2c1
InChIInChI=1S/C17H11NOS2Se/c19-11-3-7-16-13(10-11)18-17(22-16)8-5-12-4-6-15(21-12)14-2-1-9-20-14/h1-10,19H/b8-5+
InChIKeyXQFZAHRTNHOORD-VMPITWQZSA-N
MW388.38 g/mol
LogP4.96
Rot. Bonds3

About 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol

2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol (PubChem CID 155642671) has the molecular formula C17H11NOS2Se and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol.

Molecular Properties

Compound Name2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol
PubChem CID155642671
Molecular FormulaC17H11NOS2Se
Molecular Weight388.38 g/mol
Exact Mass388.94
IUPAC Name2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol
SMILESOc1ccc2[se]c(/C=C/c3ccc(-c4cccs4)s3)nc2c1
InChIInChI=1S/C17H11NOS2Se/c19-11-3-7-16-13(10-11)18-17(22-16)8-5-12-4-6-15(21-12)14-2-1-9-20-14/h1-10,19H/b8-5+
InChIKeyXQFZAHRTNHOORD-VMPITWQZSA-N
XLogP4.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol?
The IUPAC name of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol (CID 155642671) is 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol.
What is the SMILES notation for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol?
The canonical SMILES for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol is Oc1ccc2[se]c(/C=C/c3ccc(-c4cccs4)s3)nc2c1.
What is the InChIKey of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol?
The InChIKey is XQFZAHRTNHOORD-VMPITWQZSA-N. The full InChI is InChI=1S/C17H11NOS2Se/c19-11-3-7-16-13(10-11)18-17(22-16)8-5-12-4-6-15(21-12)14-2-1-9-20-14/h1-10,19H/b8-5+.
What are the key properties of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol?
2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol has a molecular weight of 388.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol is sourced from PubChem (CID 155642671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).