4H-thieno[3,2-b]pyridin-7-one

C7H5NOS — CID 5074765

IUPAC4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1cc[nH]c2ccsc12
InChIInChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
InChIKeyAACVULYSNJAKEQ-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.59
Rot. Bonds

About 4H-thieno[3,2-b]pyridin-7-one

4H-thieno[3,2-b]pyridin-7-one (PubChem CID 5074765) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 4H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4H-thieno[3,2-b]pyridin-7-one
PubChem CID5074765
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1cc[nH]c2ccsc12
InChIInChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
InChIKeyAACVULYSNJAKEQ-UHFFFAOYSA-N
XLogP1.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 4H-thieno[3,2-b]pyridin-7-one (CID 5074765) is 4H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4H-thieno[3,2-b]pyridin-7-one is O=c1cc[nH]c2ccsc12.
What is the InChIKey of 4H-thieno[3,2-b]pyridin-7-one?
The InChIKey is AACVULYSNJAKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9).
What are the key properties of 4H-thieno[3,2-b]pyridin-7-one?
4H-thieno[3,2-b]pyridin-7-one has a molecular weight of 151.19 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 5074765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).