5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one

C20H16FN3OS — CID 16905984

IUPAC5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3nc(C)sc23)cc1
InChIInChI=1S/C20H16FN3OS/c1-12-6-8-15(9-7-12)17-19-18(22-13(2)26-19)20(25)24(23-17)11-14-4-3-5-16(21)10-14/h3-10H,11H2,1-2H3
InChIKeyFWJQPLZYAPZOLJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.32
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 16905984) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID16905984
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3nc(C)sc23)cc1
InChIInChI=1S/C20H16FN3OS/c1-12-6-8-15(9-7-12)17-19-18(22-13(2)26-19)20(25)24(23-17)11-14-4-3-5-16(21)10-14/h3-10H,11H2,1-2H3
InChIKeyFWJQPLZYAPZOLJ-UHFFFAOYSA-N
XLogP4.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 16905984) is 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3nc(C)sc23)cc1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is FWJQPLZYAPZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-12-6-8-15(9-7-12)17-19-18(22-13(2)26-19)20(25)24(23-17)11-14-4-3-5-16(21)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 365.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 16905984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).