7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one

C13H11N3O2S — CID 66599906

IUPAC7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one
SMILESCc1ccccc1-c1c(O)c2nsnc2n(C)c1=O
InChIInChI=1S/C13H11N3O2S/c1-7-5-3-4-6-8(7)9-11(17)10-12(15-19-14-10)16(2)13(9)18/h3-6,17H,1-2H3
InChIKeyUENGVDLUVCWFQY-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.07
Rot. Bonds1

About 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one

7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one (PubChem CID 66599906) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one
PubChem CID66599906
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one
SMILESCc1ccccc1-c1c(O)c2nsnc2n(C)c1=O
InChIInChI=1S/C13H11N3O2S/c1-7-5-3-4-6-8(7)9-11(17)10-12(15-19-14-10)16(2)13(9)18/h3-6,17H,1-2H3
InChIKeyUENGVDLUVCWFQY-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one (CID 66599906) is 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one is Cc1ccccc1-c1c(O)c2nsnc2n(C)c1=O.
What is the InChIKey of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
The InChIKey is UENGVDLUVCWFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-5-3-4-6-8(7)9-11(17)10-12(15-19-14-10)16(2)13(9)18/h3-6,17H,1-2H3.
What are the key properties of 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one?
7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one has a molecular weight of 273.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 66599906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).