2-(1-thiophen-2-ylprop-2-enyl)benzotriazole

C13H11N3S — CID 141425410

IUPAC2-(1-thiophen-2-ylprop-2-enyl)benzotriazole
SMILESC=CC(c1cccs1)n1nc2ccccc2n1
InChIInChI=1S/C13H11N3S/c1-2-12(13-8-5-9-17-13)16-14-10-6-3-4-7-11(10)15-16/h2-9,12H,1H2
InChIKeyFEOSUMWLHPJVAP-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.27
Rot. Bonds3

About 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole

2-(1-thiophen-2-ylprop-2-enyl)benzotriazole (PubChem CID 141425410) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole.

Molecular Properties

Compound Name2-(1-thiophen-2-ylprop-2-enyl)benzotriazole
PubChem CID141425410
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-(1-thiophen-2-ylprop-2-enyl)benzotriazole
SMILESC=CC(c1cccs1)n1nc2ccccc2n1
InChIInChI=1S/C13H11N3S/c1-2-12(13-8-5-9-17-13)16-14-10-6-3-4-7-11(10)15-16/h2-9,12H,1H2
InChIKeyFEOSUMWLHPJVAP-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole?
The IUPAC name of 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole (CID 141425410) is 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole.
What is the SMILES notation for 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole?
The canonical SMILES for 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole is C=CC(c1cccs1)n1nc2ccccc2n1.
What is the InChIKey of 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole?
The InChIKey is FEOSUMWLHPJVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-12(13-8-5-9-17-13)16-14-10-6-3-4-7-11(10)15-16/h2-9,12H,1H2.
What are the key properties of 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole?
2-(1-thiophen-2-ylprop-2-enyl)benzotriazole has a molecular weight of 241.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylprop-2-enyl)benzotriazole is sourced from PubChem (CID 141425410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).