4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline

C16H13NS2 — CID 53330119

IUPAC4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H13NS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H,17H2/b8-5+
InChIKeySASQTXXBOIPMOR-VMPITWQZSA-N
MW283.42 g/mol
LogP5.23
Rot. Bonds3

About 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline

4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline (PubChem CID 53330119) has the molecular formula C16H13NS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
PubChem CID53330119
Molecular FormulaC16H13NS2
Molecular Weight283.42 g/mol
Exact Mass283.05
IUPAC Name4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H13NS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H,17H2/b8-5+
InChIKeySASQTXXBOIPMOR-VMPITWQZSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline (CID 53330119) is 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline is Nc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline?
The InChIKey is SASQTXXBOIPMOR-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13NS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H,17H2/b8-5+.
What are the key properties of 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline?
4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline is sourced from PubChem (CID 53330119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).