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

C12H10N4O2S — CID 42281617

IUPAC2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3nc(N)sc23)cc1
InChIInChI=1S/C12H10N4O2S/c1-18-7-4-2-6(3-5-7)8-10-9(11(17)16-15-8)14-12(13)19-10/h2-5H,1H3,(H2,13,14)(H,16,17)
InChIKeyZSTFWUMWIUIZGH-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.64
Rot. Bonds2

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

2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 42281617) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID42281617
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3nc(N)sc23)cc1
InChIInChI=1S/C12H10N4O2S/c1-18-7-4-2-6(3-5-7)8-10-9(11(17)16-15-8)14-12(13)19-10/h2-5H,1H3,(H2,13,14)(H,16,17)
InChIKeyZSTFWUMWIUIZGH-UHFFFAOYSA-N
XLogP1.64
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-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 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 42281617) is 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1ccc(-c2n[nH]c(=O)c3nc(N)sc23)cc1.
What is the InChIKey of 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is ZSTFWUMWIUIZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-18-7-4-2-6(3-5-7)8-10-9(11(17)16-15-8)14-12(13)19-10/h2-5H,1H3,(H2,13,14)(H,16,17).
What are the key properties of 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 274.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 42281617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).