N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C19H22N8O3S2 — CID 122347042

About N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 122347042) has the molecular formula C19H22N8O3S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 122347042
• Molecular Formula: C19H22N8O3S2
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.13
• IUPAC Name: N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)s1
• InChI: InChI=1S/C19H22N8O3S2/c1-13-5-6-20-16(11-13)23-15-3-4-17(25-24-15)26-7-9-27(10-8-26)32(29,30)18-12-21-19(31-18)22-14(2)28/h3-6,11-12H,7-10H2,1-2H3,(H,20,23,24)(H,21,22,28)
• InChIKey: AONDPBZVTPHPSK-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 133.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 122347042) is N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)s1.

What is the InChIKey of N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is AONDPBZVTPHPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3S2/c1-13-5-6-20-16(11-13)23-15-3-4-17(25-24-15)26-7-9-27(10-8-26)32(29,30)18-12-21-19(31-18)22-14(2)28/h3-6,11-12H,7-10H2,1-2H3,(H,20,23,24)(H,21,22,28).

What are the key properties of N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?

N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 474.57 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122347042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).