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

C13H15NOS — CID 81148126

IUPAC1-thieno[3,2-b]pyridin-6-ylhexan-1-one
SMILESCCCCCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C13H15NOS/c1-2-3-4-5-12(15)10-8-13-11(14-9-10)6-7-16-13/h6-9H,2-5H2,1H3
InChIKeyFCXGDZVOIRVLAV-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.06
Rot. Bonds5

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

1-thieno[3,2-b]pyridin-6-ylhexan-1-one (PubChem CID 81148126) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-thieno[3,2-b]pyridin-6-ylhexan-1-one.

Molecular Properties

Compound Name1-thieno[3,2-b]pyridin-6-ylhexan-1-one
PubChem CID81148126
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-thieno[3,2-b]pyridin-6-ylhexan-1-one
SMILESCCCCCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C13H15NOS/c1-2-3-4-5-12(15)10-8-13-11(14-9-10)6-7-16-13/h6-9H,2-5H2,1H3
InChIKeyFCXGDZVOIRVLAV-UHFFFAOYSA-N
XLogP4.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
CID 81144218
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
1-quinolin-3-yloctan-1-one
CID 114963108
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146664
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]pyridin-6-ylhexan-1-one?
The IUPAC name of 1-thieno[3,2-b]pyridin-6-ylhexan-1-one (CID 81148126) is 1-thieno[3,2-b]pyridin-6-ylhexan-1-one.
What is the SMILES notation for 1-thieno[3,2-b]pyridin-6-ylhexan-1-one?
The canonical SMILES for 1-thieno[3,2-b]pyridin-6-ylhexan-1-one is CCCCCC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 1-thieno[3,2-b]pyridin-6-ylhexan-1-one?
The InChIKey is FCXGDZVOIRVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-3-4-5-12(15)10-8-13-11(14-9-10)6-7-16-13/h6-9H,2-5H2,1H3.
What are the key properties of 1-thieno[3,2-b]pyridin-6-ylhexan-1-one?
1-thieno[3,2-b]pyridin-6-ylhexan-1-one has a molecular weight of 233.34 g/mol, XLogP of 4.06, 5 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-ylhexan-1-one is sourced from PubChem (CID 81148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).