5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one

C12H14N2OS — CID 112557143

IUPAC5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESC=CCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C12H14N2OS/c1-2-5-13-6-8-14-7-3-11-10(12(14)15)4-9-16-11/h2-4,7,9,13H,1,5-6,8H2
InChIKeyAUHGMKZYPQMIKH-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.84
Rot. Bonds5

About 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one

5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 112557143) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID112557143
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESC=CCNCCn1ccc2sccc2c1=O
InChIInChI=1S/C12H14N2OS/c1-2-5-13-6-8-14-7-3-11-10(12(14)15)4-9-16-11/h2-4,7,9,13H,1,5-6,8H2
InChIKeyAUHGMKZYPQMIKH-UHFFFAOYSA-N
XLogP1.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 112557143) is 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one is C=CCNCCn1ccc2sccc2c1=O.
What is the InChIKey of 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is AUHGMKZYPQMIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-5-13-6-8-14-7-3-11-10(12(14)15)4-9-16-11/h2-4,7,9,13H,1,5-6,8H2.
What are the key properties of 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 234.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 112557143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).