2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

C10H10N2O2S — CID 2816723

IUPAC2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCC(=O)n1sc2nc(C)cc(C)c2c1=O
InChIInChI=1S/C10H10N2O2S/c1-5-4-6(2)11-9-8(5)10(14)12(15-9)7(3)13/h4H,1-3H3
InChIKeyKGXOUAFSIHRDIX-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.73
Rot. Bonds

About 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 2816723) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID2816723
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCC(=O)n1sc2nc(C)cc(C)c2c1=O
InChIInChI=1S/C10H10N2O2S/c1-5-4-6(2)11-9-8(5)10(14)12(15-9)7(3)13/h4H,1-3H3
InChIKeyKGXOUAFSIHRDIX-UHFFFAOYSA-N
XLogP1.73
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-
CID 173760
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-propylacetamide
CID 6619971
N-cyclopentyl-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4048808
ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
CID 49878590
Isothiazolo(5,4-b)pyridin-3(2H)-one, 2-benzoyl-4,6-dimethyl-
CID 2816721
4,6-Dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 2816786
2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)-N-(3-fluorophenyl)acetamide
CID 4247468
4,6-Dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5309471
4,6-Dimethyl-2-methylsulfanyl-nicotinamide
CID 601656
4,6-Dimethyl-2-propylsulfanyl-nicotinamide
CID 2906254
Ethyl 2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetate
CID 463831
N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
CID 20876820

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 2816723) is 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one is CC(=O)n1sc2nc(C)cc(C)c2c1=O.
What is the InChIKey of 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is KGXOUAFSIHRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-4-6(2)11-9-8(5)10(14)12(15-9)7(3)13/h4H,1-3H3.
What are the key properties of 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 222.27 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 2816723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).