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

C19H14FN3OS — CID 16906273

IUPAC5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H14FN3OS/c1-12-21-17-18(25-12)16(14-7-9-15(20)10-8-14)22-23(19(17)24)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyUTQXSHNSTQUZQD-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds3

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

5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 16906273) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID16906273
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H14FN3OS/c1-12-21-17-18(25-12)16(14-7-9-15(20)10-8-14)22-23(19(17)24)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyUTQXSHNSTQUZQD-UHFFFAOYSA-N
XLogP4.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 16906273) is 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is UTQXSHNSTQUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-12-21-17-18(25-12)16(14-7-9-15(20)10-8-14)22-23(19(17)24)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 351.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-(4-fluorophenyl)-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 16906273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).