2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole

C20H15N5S — CID 3289934

IUPAC2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole
SMILESCc1ccc(-n2cc3c(-c4nc5ccccc5s4)nnc(C)c3n2)cc1
InChIInChI=1S/C20H15N5S/c1-12-7-9-14(10-8-12)25-11-15-18(24-25)13(2)22-23-19(15)20-21-16-5-3-4-6-17(16)26-20/h3-11H,1-2H3
InChIKeyCXKHWDCDZUDAAL-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.71
Rot. Bonds2

About 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole

2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole (PubChem CID 3289934) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole
PubChem CID3289934
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole
SMILESCc1ccc(-n2cc3c(-c4nc5ccccc5s4)nnc(C)c3n2)cc1
InChIInChI=1S/C20H15N5S/c1-12-7-9-14(10-8-12)25-11-15-18(24-25)13(2)22-23-19(15)20-21-16-5-3-4-6-17(16)26-20/h3-11H,1-2H3
InChIKeyCXKHWDCDZUDAAL-UHFFFAOYSA-N
XLogP4.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole 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 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole (CID 3289934) is 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole is Cc1ccc(-n2cc3c(-c4nc5ccccc5s4)nnc(C)c3n2)cc1.
What is the InChIKey of 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole?
The InChIKey is CXKHWDCDZUDAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-12-7-9-14(10-8-12)25-11-15-18(24-25)13(2)22-23-19(15)20-21-16-5-3-4-6-17(16)26-20/h3-11H,1-2H3.
What are the key properties of 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole?
2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole has a molecular weight of 357.44 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 3289934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).