N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine

C12H12N2S — CID 156698083

IUPACN-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine
SMILESC=CC(Nc1ccccn1)c1cccs1
InChIInChI=1S/C12H12N2S/c1-2-10(11-6-5-9-15-11)14-12-7-3-4-8-13-12/h2-10H,1H2,(H,13,14)
InChIKeyYJDCKHOUDGJVAD-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.48
Rot. Bonds4

About N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine

N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine (PubChem CID 156698083) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine
PubChem CID156698083
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC NameN-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine
SMILESC=CC(Nc1ccccn1)c1cccs1
InChIInChI=1S/C12H12N2S/c1-2-10(11-6-5-9-15-11)14-12-7-3-4-8-13-12/h2-10H,1H2,(H,13,14)
InChIKeyYJDCKHOUDGJVAD-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine?
The IUPAC name of N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine (CID 156698083) is N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine is C=CC(Nc1ccccn1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine?
The InChIKey is YJDCKHOUDGJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-10(11-6-5-9-15-11)14-12-7-3-4-8-13-12/h2-10H,1H2,(H,13,14).
What are the key properties of N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine?
N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine has a molecular weight of 216.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylprop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 156698083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).