5-but-2-ynylthieno[3,2-c]pyridin-4-one

C11H9NOS — CID 115886548

IUPAC5-but-2-ynylthieno[3,2-c]pyridin-4-one
SMILESCC#CCn1ccc2sccc2c1=O
InChIInChI=1S/C11H9NOS/c1-2-3-6-12-7-4-10-9(11(12)13)5-8-14-10/h4-5,7-8H,6H2,1H3
InChIKeyGCQBNGJNZVVGLW-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.09
Rot. Bonds1

About 5-but-2-ynylthieno[3,2-c]pyridin-4-one

5-but-2-ynylthieno[3,2-c]pyridin-4-one (PubChem CID 115886548) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-but-2-ynylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-but-2-ynylthieno[3,2-c]pyridin-4-one
PubChem CID115886548
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-but-2-ynylthieno[3,2-c]pyridin-4-one
SMILESCC#CCn1ccc2sccc2c1=O
InChIInChI=1S/C11H9NOS/c1-2-3-6-12-7-4-10-9(11(12)13)5-8-14-10/h4-5,7-8H,6H2,1H3
InChIKeyGCQBNGJNZVVGLW-UHFFFAOYSA-N
XLogP2.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
5-[3-(tert-butylamino)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
CID 112557021
5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
CID 106731694
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
CID 112557046
5-[2-(bromomethyl)-3,3-dimethylbutyl]thieno[3,2-c]pyridin-4-one
CID 112557005
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911

Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-but-2-ynylthieno[3,2-c]pyridin-4-one (CID 115886548) is 5-but-2-ynylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-but-2-ynylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-but-2-ynylthieno[3,2-c]pyridin-4-one is CC#CCn1ccc2sccc2c1=O.
What is the InChIKey of 5-but-2-ynylthieno[3,2-c]pyridin-4-one?
The InChIKey is GCQBNGJNZVVGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-2-3-6-12-7-4-10-9(11(12)13)5-8-14-10/h4-5,7-8H,6H2,1H3.
What are the key properties of 5-but-2-ynylthieno[3,2-c]pyridin-4-one?
5-but-2-ynylthieno[3,2-c]pyridin-4-one has a molecular weight of 203.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115886548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).