1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one

C11H7NOS — CID 81147974

IUPAC1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
SMILESC#CCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C11H7NOS/c1-2-3-10(13)8-6-11-9(12-7-8)4-5-14-11/h1,4-7H,3H2
InChIKeyTUVLDBYFHRGMEM-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.50
Rot. Bonds2

About 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one

1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one (PubChem CID 81147974) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one.

Molecular Properties

Compound Name1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
PubChem CID81147974
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
SMILESC#CCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C11H7NOS/c1-2-3-10(13)8-6-11-9(12-7-8)4-5-14-11/h1,4-7H,3H2
InChIKeyTUVLDBYFHRGMEM-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.50
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

2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
1-thieno[3,2-b]pyridin-6-ylhexan-1-one
CID 81148126
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
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-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146664
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
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

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one?
The IUPAC name of 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one (CID 81147974) is 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one.
What is the SMILES notation for 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one?
The canonical SMILES for 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one is C#CCC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one?
The InChIKey is TUVLDBYFHRGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c1-2-3-10(13)8-6-11-9(12-7-8)4-5-14-11/h1,4-7H,3H2.
What are the key properties of 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one?
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one has a molecular weight of 201.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one is sourced from PubChem (CID 81147974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).