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

C16H21NOS — CID 81144218

IUPAC3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C16H21NOS/c1-3-5-6-12(4-2)9-15(18)13-10-16-14(17-11-13)7-8-19-16/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyAXXCLHZNLWZQCM-UHFFFAOYSA-N
MW275.42 g/mol
LogP5.09
Rot. Bonds7

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

3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one (PubChem CID 81144218) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one.

Molecular Properties

Compound Name3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
PubChem CID81144218
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
SMILESCCCCC(CC)CC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C16H21NOS/c1-3-5-6-12(4-2)9-15(18)13-10-16-14(17-11-13)7-8-19-16/h7-8,10-12H,3-6,9H2,1-2H3
InChIKeyAXXCLHZNLWZQCM-UHFFFAOYSA-N
XLogP5.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine
CID 81143975
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
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
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
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
3-ethyl-1-(1-methylpyrazol-3-yl)heptan-1-one
CID 65195809

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one?
The IUPAC name of 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one (CID 81144218) is 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one.
What is the SMILES notation for 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one?
The canonical SMILES for 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one is CCCCC(CC)CC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one?
The InChIKey is AXXCLHZNLWZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-5-6-12(4-2)9-15(18)13-10-16-14(17-11-13)7-8-19-16/h7-8,10-12H,3-6,9H2,1-2H3.
What are the key properties of 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one?
3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one has a molecular weight of 275.42 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one is sourced from PubChem (CID 81144218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).