2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine

C19H16N2OS — CID 164614186

IUPAC2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1/C=C1\c2ccccc2-c2sccc21
InChIInChI=1S/C19H16N2OS/c20-8-10-22-19-13(4-3-9-21-19)12-17-14-5-1-2-6-15(14)18-16(17)7-11-23-18/h1-7,9,11-12H,8,10,20H2/b17-12+
InChIKeyMFSOTZDJTJHOBI-SFQUDFHCSA-N
MW320.42 g/mol
LogP4.05
Rot. Bonds4

About 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine

2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine (PubChem CID 164614186) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine
PubChem CID164614186
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1/C=C1\c2ccccc2-c2sccc21
InChIInChI=1S/C19H16N2OS/c20-8-10-22-19-13(4-3-9-21-19)12-17-14-5-1-2-6-15(14)18-16(17)7-11-23-18/h1-7,9,11-12H,8,10,20H2/b17-12+
InChIKeyMFSOTZDJTJHOBI-SFQUDFHCSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine (CID 164614186) is 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine is NCCOc1ncccc1/C=C1\c2ccccc2-c2sccc21.
What is the InChIKey of 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine?
The InChIKey is MFSOTZDJTJHOBI-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H16N2OS/c20-8-10-22-19-13(4-3-9-21-19)12-17-14-5-1-2-6-15(14)18-16(17)7-11-23-18/h1-7,9,11-12H,8,10,20H2/b17-12+.
What are the key properties of 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine?
2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine has a molecular weight of 320.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-indeno[1,2-b]thiophen-4-ylidenemethyl]-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 164614186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).