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

C8H9NOS — CID 14198229

IUPAC5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one
SMILESCc1cc2c([nH]c1=O)SCC2
InChIInChI=1S/C8H9NOS/c1-5-4-6-2-3-11-8(6)9-7(5)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyAOCVHJDCUSUFPP-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.33
Rot. Bonds

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

5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one (PubChem CID 14198229) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one
PubChem CID14198229
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one
SMILESCc1cc2c([nH]c1=O)SCC2
InChIInChI=1S/C8H9NOS/c1-5-4-6-2-3-11-8(6)9-7(5)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyAOCVHJDCUSUFPP-UHFFFAOYSA-N
XLogP1.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one (CID 14198229) is 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one is Cc1cc2c([nH]c1=O)SCC2.
What is the InChIKey of 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one?
The InChIKey is AOCVHJDCUSUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-5-4-6-2-3-11-8(6)9-7(5)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one?
5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one has a molecular weight of 167.23 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,7-dihydro-2H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 14198229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).