3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

C6H4N2O2S — CID 160818613

IUPAC3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C1Nc2cccnc2S1=O
InChIInChI=1S/C6H4N2O2S/c9-6-8-4-2-1-3-7-5(4)11(6)10/h1-3H,(H,8,9)
InChIKeySFFVYARSPYRJOH-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.73
Rot. Bonds

About 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one

3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 160818613) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID160818613
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C1Nc2cccnc2S1=O
InChIInChI=1S/C6H4N2O2S/c9-6-8-4-2-1-3-7-5(4)11(6)10/h1-3H,(H,8,9)
InChIKeySFFVYARSPYRJOH-UHFFFAOYSA-N
XLogP0.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 160818613) is 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C1Nc2cccnc2S1=O.
What is the InChIKey of 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is SFFVYARSPYRJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-6-8-4-2-1-3-7-5(4)11(6)10/h1-3H,(H,8,9).
What are the key properties of 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one?
3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 168.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 160818613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).