1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone

C23H19N3OS2 — CID 20900558

About 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone

1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone (PubChem CID 20900558) has the molecular formula C23H19N3OS2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone
• PubChem CID: 20900558
• Molecular Formula: C23H19N3OS2
• Molecular Weight: 417.56 g/mol
• Exact Mass: 417.10
• IUPAC Name: 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone
• SMILES: Cc1ccc(C(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)cc1
• InChI: InChI=1S/C23H19N3OS2/c1-15-8-10-17(11-9-15)20(27)14-28-21-13-12-19(25-26-21)22-16(2)24-23(29-22)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3
• InChIKey: GKCGAVJXELFBTF-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 55.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.56
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone?

The IUPAC name of 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone (CID 20900558) is 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone.

What is the SMILES notation for 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone?

The canonical SMILES for 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone is Cc1ccc(C(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)cc1.

What is the InChIKey of 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone?

The InChIKey is GKCGAVJXELFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS2/c1-15-8-10-17(11-9-15)20(27)14-28-21-13-12-19(25-26-21)22-16(2)24-23(29-22)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3.

What are the key properties of 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone?

1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 417.56 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 20900558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).