4,6-dimethylthieno[2,3-b]pyridin-3-one

C9H9NOS — CID 719883

IUPAC4,6-dimethylthieno[2,3-b]pyridin-3-one
SMILESCc1cc(C)c2c(n1)SCC2=O
InChIInChI=1S/C9H9NOS/c1-5-3-6(2)10-9-8(5)7(11)4-12-9/h3H,4H2,1-2H3
InChIKeyUNQPXCPQBYBKCL-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.99
Rot. Bonds

About 4,6-dimethylthieno[2,3-b]pyridin-3-one

4,6-dimethylthieno[2,3-b]pyridin-3-one (PubChem CID 719883) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 4,6-dimethylthieno[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethylthieno[2,3-b]pyridin-3-one
PubChem CID719883
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name4,6-dimethylthieno[2,3-b]pyridin-3-one
SMILESCc1cc(C)c2c(n1)SCC2=O
InChIInChI=1S/C9H9NOS/c1-5-3-6(2)10-9-8(5)7(11)4-12-9/h3H,4H2,1-2H3
InChIKeyUNQPXCPQBYBKCL-UHFFFAOYSA-N
XLogP1.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylthieno[2,3-b]pyridin-3-one?
The IUPAC name of 4,6-dimethylthieno[2,3-b]pyridin-3-one (CID 719883) is 4,6-dimethylthieno[2,3-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethylthieno[2,3-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethylthieno[2,3-b]pyridin-3-one is Cc1cc(C)c2c(n1)SCC2=O.
What is the InChIKey of 4,6-dimethylthieno[2,3-b]pyridin-3-one?
The InChIKey is UNQPXCPQBYBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-3-6(2)10-9-8(5)7(11)4-12-9/h3H,4H2,1-2H3.
What are the key properties of 4,6-dimethylthieno[2,3-b]pyridin-3-one?
4,6-dimethylthieno[2,3-b]pyridin-3-one has a molecular weight of 179.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylthieno[2,3-b]pyridin-3-one is sourced from PubChem (CID 719883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).