7aH-thieno[3,2-b]pyridin-7-one

C7H5NOS — CID 71304750

IUPAC7aH-thieno[3,2-b]pyridin-7-one
SMILESO=C1C=CN=C2C=CSC12
InChIInChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4,7H
InChIKeyLLXLYMIJSXJZLK-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.15
Rot. Bonds

About 7aH-thieno[3,2-b]pyridin-7-one

7aH-thieno[3,2-b]pyridin-7-one (PubChem CID 71304750) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 7aH-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name7aH-thieno[3,2-b]pyridin-7-one
PubChem CID71304750
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name7aH-thieno[3,2-b]pyridin-7-one
SMILESO=C1C=CN=C2C=CSC12
InChIInChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4,7H
InChIKeyLLXLYMIJSXJZLK-UHFFFAOYSA-N
XLogP1.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7aH-thieno[2,3-c]pyridin-7-one
CID 76845842
2-chlorothiophen-3-one
CID 89128659
3-oxothiophene-2-carboxylic acid
CID 67186889
(3-oxothiophen-2-yl)boronic acid
CID 70229964
3-[(3,4-dimethylphenyl)methyl]-4aH-thieno[3,2-d]pyrimidine-2,4-dione
CID 75286347
4a,8a-dihydrothiopyrano[2,3-b]pyridin-4-one
CID 22224514
1,9a-dihydro-1,5-benzodiazepin-2-one
CID 22317647
indol-5-one
CID 21494587
2-(3-hydroxypropyl)thiophen-3-one
CID 150548341
2-azabicyclo[3.2.0]hepta-1,3,6-triene
CID 86260209
2H-thieno[2,3-b]pyridin-4-one;hydrochloride
CID 174440586
triazolo[4,5-b]pyridin-7-one
CID 68560024

Frequently Asked Questions

What is the IUPAC name of 7aH-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 7aH-thieno[3,2-b]pyridin-7-one (CID 71304750) is 7aH-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 7aH-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 7aH-thieno[3,2-b]pyridin-7-one is O=C1C=CN=C2C=CSC12.
What is the InChIKey of 7aH-thieno[3,2-b]pyridin-7-one?
The InChIKey is LLXLYMIJSXJZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4,7H.
What are the key properties of 7aH-thieno[3,2-b]pyridin-7-one?
7aH-thieno[3,2-b]pyridin-7-one has a molecular weight of 151.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 71304750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).