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

C11H7FN4OS — CID 42281616

IUPAC2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)[nH]nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C11H7FN4OS/c12-6-3-1-5(2-4-6)7-9-8(10(17)16-15-7)14-11(13)18-9/h1-4H,(H2,13,14)(H,16,17)
InChIKeySMVQOUIFQQASHA-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.77
Rot. Bonds1

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

2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42281616) has the molecular formula C11H7FN4OS and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID42281616
Molecular FormulaC11H7FN4OS
Molecular Weight262.27 g/mol
Exact Mass262.03
IUPAC Name2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)[nH]nc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C11H7FN4OS/c12-6-3-1-5(2-4-6)7-9-8(10(17)16-15-7)14-11(13)18-9/h1-4H,(H2,13,14)(H,16,17)
InChIKeySMVQOUIFQQASHA-UHFFFAOYSA-N
XLogP1.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42281616) is 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is Nc1nc2c(=O)[nH]nc(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is SMVQOUIFQQASHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4OS/c12-6-3-1-5(2-4-6)7-9-8(10(17)16-15-7)14-11(13)18-9/h1-4H,(H2,13,14)(H,16,17).
What are the key properties of 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 262.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-fluorophenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42281616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).