1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one

C12H9NOS — CID 4997934

IUPAC1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccs1)c1ccccn1
InChIInChI=1S/C12H9NOS/c14-12(11-5-1-2-8-13-11)7-6-10-4-3-9-15-10/h1-9H
InChIKeySCYJTOXGAXKLKG-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.04
Rot. Bonds3

About 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one

1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 4997934) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID4997934
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccs1)c1ccccn1
InChIInChI=1S/C12H9NOS/c14-12(11-5-1-2-8-13-11)7-6-10-4-3-9-15-10/h1-9H
InChIKeySCYJTOXGAXKLKG-UHFFFAOYSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
Oxisuran
CID 33770
N-(4-Pyridinyl)-2-thiophenecarboxamide
CID 676266
N-hydroxy-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 10242569
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
4-Dimethylamino-1-(2-oxo-2-thiophen-2-yl-ethyl)-pyridinium
CID 24746845
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
Pyridine-2-carboxylic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793915
2,2,2-Trifluoro-1-[5-(2-pyridinyl)-2-thienyl]ethanone
CID 44541233
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one (CID 4997934) is 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1cccs1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is SCYJTOXGAXKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12(11-5-1-2-8-13-11)7-6-10-4-3-9-15-10/h1-9H.
What are the key properties of 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one?
1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 215.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 4997934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).