3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one

C13H13NOS — CID 81147598

IUPAC3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
SMILESC=C(CC)CC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C13H13NOS/c1-3-9(2)6-12(15)10-7-13-11(14-8-10)4-5-16-13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKPAZVMURUSOIAN-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.84
Rot. Bonds4

About 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one

3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one (PubChem CID 81147598) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one.

Molecular Properties

Compound Name3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
PubChem CID81147598
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
SMILESC=C(CC)CC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C13H13NOS/c1-3-9(2)6-12(15)10-7-13-11(14-8-10)4-5-16-13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKPAZVMURUSOIAN-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-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

1-thieno[3,2-b]pyridin-6-ylhexan-1-one
CID 81148126
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
CID 81144218
(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 81148407
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146664
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81144073
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one?
The IUPAC name of 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one (CID 81147598) is 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one.
What is the SMILES notation for 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one?
The canonical SMILES for 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one is C=C(CC)CC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one?
The InChIKey is KPAZVMURUSOIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-3-9(2)6-12(15)10-7-13-11(14-8-10)4-5-16-13/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one?
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one is sourced from PubChem (CID 81147598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).