N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide

C17H20N8O3S2 — CID 122327041

About N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 122327041) has the molecular formula C17H20N8O3S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 122327041
• Molecular Formula: C17H20N8O3S2
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.11
• IUPAC Name: N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(S(=O)(=O)NCCNc2ccc(Nc3ccc(C)cn3)nn2)s1
• InChI: InChI=1S/C17H20N8O3S2/c1-11-3-4-13(19-9-11)23-15-6-5-14(24-25-15)18-7-8-21-30(27,28)16-10-20-17(29-16)22-12(2)26/h3-6,9-10,21H,7-8H2,1-2H3,(H,18,24)(H,19,23,25)(H,20,22,26)
• InChIKey: BRHDIBJSHLSGJH-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 150.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 122327041) is N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)NCCNc2ccc(Nc3ccc(C)cn3)nn2)s1.

What is the InChIKey of N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is BRHDIBJSHLSGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O3S2/c1-11-3-4-13(19-9-11)23-15-6-5-14(24-25-15)18-7-8-21-30(27,28)16-10-20-17(29-16)22-12(2)26/h3-6,9-10,21H,7-8H2,1-2H3,(H,18,24)(H,19,23,25)(H,20,22,26).

What are the key properties of N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 1.73, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethylsulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122327041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).