5-methyl-6H-thieno[3,2-b]pyridin-7-one

C8H7NOS — CID 20721322

IUPAC5-methyl-6H-thieno[3,2-b]pyridin-7-one
SMILESCC1=Nc2ccsc2C(=O)C1
InChIInChI=1S/C8H7NOS/c1-5-4-7(10)8-6(9-5)2-3-11-8/h2-3H,4H2,1H3
InChIKeyNGJFXNIKYHQCPR-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.43
Rot. Bonds

About 5-methyl-6H-thieno[3,2-b]pyridin-7-one

5-methyl-6H-thieno[3,2-b]pyridin-7-one (PubChem CID 20721322) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-methyl-6H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name5-methyl-6H-thieno[3,2-b]pyridin-7-one
PubChem CID20721322
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name5-methyl-6H-thieno[3,2-b]pyridin-7-one
SMILESCC1=Nc2ccsc2C(=O)C1
InChIInChI=1S/C8H7NOS/c1-5-4-7(10)8-6(9-5)2-3-11-8/h2-3H,4H2,1H3
InChIKeyNGJFXNIKYHQCPR-UHFFFAOYSA-N
XLogP2.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 5-methyl-6H-thieno[3,2-b]pyridin-7-one (CID 20721322) is 5-methyl-6H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 5-methyl-6H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 5-methyl-6H-thieno[3,2-b]pyridin-7-one is CC1=Nc2ccsc2C(=O)C1.
What is the InChIKey of 5-methyl-6H-thieno[3,2-b]pyridin-7-one?
The InChIKey is NGJFXNIKYHQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-5-4-7(10)8-6(9-5)2-3-11-8/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-6H-thieno[3,2-b]pyridin-7-one?
5-methyl-6H-thieno[3,2-b]pyridin-7-one has a molecular weight of 165.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 20721322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).