4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide

C23H18N6O5S — CID 108809302

About 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide

4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 108809302) has the molecular formula C23H18N6O5S and a molecular weight of 490.50 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide
• PubChem CID: 108809302
• Molecular Formula: C23H18N6O5S
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.11
• IUPAC Name: 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide
• SMILES: COc1ccc(-c2csc3nc(NC(=O)c4nn(-c5ccccc5OC)c(=O)cc4O)nn23)cc1
• InChI: InChI=1S/C23H18N6O5S/c1-33-14-9-7-13(8-10-14)16-12-35-23-25-22(27-29(16)23)24-21(32)20-17(30)11-19(31)28(26-20)15-5-3-4-6-18(15)34-2/h3-12,30H,1-2H3,(H,24,27,32)
• InChIKey: FJLYTYXCSODMJC-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 132.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide?

The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide (CID 108809302) is 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide?

The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide is COc1ccc(-c2csc3nc(NC(=O)c4nn(-c5ccccc5OC)c(=O)cc4O)nn23)cc1.

What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide?

The InChIKey is FJLYTYXCSODMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O5S/c1-33-14-9-7-13(8-10-14)16-12-35-23-25-22(27-29(16)23)24-21(32)20-17(30)11-19(31)28(26-20)15-5-3-4-6-18(15)34-2/h3-12,30H,1-2H3,(H,24,27,32).

What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide?

4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyphenyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108809302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).