(E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide

C12H10N2OS — CID 903664

IUPAC(E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccncc1
InChIInChI=1S/C12H10N2OS/c15-12(4-3-11-2-1-9-16-11)14-10-5-7-13-8-6-10/h1-9H,(H,13,14,15)/b4-3+
InChIKeyPPLQDIRHCFZULW-ONEGZZNKSA-N
MW230.29 g/mol
LogP2.80
Rot. Bonds3

About (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 903664) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID903664
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccncc1
InChIInChI=1S/C12H10N2OS/c15-12(4-3-11-2-1-9-16-11)14-10-5-7-13-8-6-10/h1-9H,(H,13,14,15)/b4-3+
InChIKeyPPLQDIRHCFZULW-ONEGZZNKSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide (CID 903664) is (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccncc1.
What is the InChIKey of (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PPLQDIRHCFZULW-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-12(4-3-11-2-1-9-16-11)14-10-5-7-13-8-6-10/h1-9H,(H,13,14,15)/b4-3+.
What are the key properties of (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 230.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-pyridin-4-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 903664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).