5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde

C17H11NOS — CID 4187155

IUPAC5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3csc4ccccc34)cc12
InChIInChI=1S/C17H11NOS/c19-9-12-8-18-16-6-5-11(7-14(12)16)15-10-20-17-4-2-1-3-13(15)17/h1-10,18H
InChIKeyYUWFYGOPTQGIQU-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.86
Rot. Bonds2

About 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde

5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde (PubChem CID 4187155) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde
PubChem CID4187155
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3csc4ccccc34)cc12
InChIInChI=1S/C17H11NOS/c19-9-12-8-18-16-6-5-11(7-14(12)16)15-10-20-17-4-2-1-3-13(15)17/h1-10,18H
InChIKeyYUWFYGOPTQGIQU-UHFFFAOYSA-N
XLogP4.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde (CID 4187155) is 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(-c3csc4ccccc34)cc12.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde?
The InChIKey is YUWFYGOPTQGIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-9-12-8-18-16-6-5-11(7-14(12)16)15-10-20-17-4-2-1-3-13(15)17/h1-10,18H.
What are the key properties of 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde?
5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde has a molecular weight of 277.35 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4187155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).