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

C15H12N2O2S — CID 2816721

IUPAC2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C15H12N2O2S/c1-9-8-10(2)16-13-12(9)15(19)17(20-13)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyZXZJYJODWMTSCV-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.76
Rot. Bonds1

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

2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 2816721) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID2816721
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C15H12N2O2S/c1-9-8-10(2)16-13-12(9)15(19)17(20-13)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyZXZJYJODWMTSCV-UHFFFAOYSA-N
XLogP2.76
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 2816721) is 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)n(C(=O)c3ccccc3)sc2n1.
What is the InChIKey of 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is ZXZJYJODWMTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-8-10(2)16-13-12(9)15(19)17(20-13)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 284.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 2816721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).