6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C21H15ClN6OS — CID 108772445

About 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772445) has the molecular formula C21H15ClN6OS and a molecular weight of 434.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
• PubChem CID: 108772445
• Molecular Formula: C21H15ClN6OS
• Molecular Weight: 434.91 g/mol
• Exact Mass: 434.07
• IUPAC Name: 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
• SMILES: COc1ccc(-c2ccc(Nc3nc4scc(-c5ccc(Cl)cc5)n4n3)nn2)cc1
• InChI: InChI=1S/C21H15ClN6OS/c1-29-16-8-4-13(5-9-16)17-10-11-19(26-25-17)23-20-24-21-28(27-20)18(12-30-21)14-2-6-15(22)7-3-14/h2-12H,1H3,(H,23,26,27)
• InChIKey: LXSJJOUFNPBAPR-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 77.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.91
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772445) is 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

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

The canonical SMILES for 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is COc1ccc(-c2ccc(Nc3nc4scc(-c5ccc(Cl)cc5)n4n3)nn2)cc1.

What is the InChIKey of 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?

The InChIKey is LXSJJOUFNPBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6OS/c1-29-16-8-4-13(5-9-16)17-10-11-19(26-25-17)23-20-24-21-28(27-20)18(12-30-21)14-2-6-15(22)7-3-14/h2-12H,1H3,(H,23,26,27).

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

6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 434.91 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).