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

C18H22N8O3S2 — CID 122339410

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

N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 122339410) has the molecular formula C18H22N8O3S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 122339410
• Molecular Formula: C18H22N8O3S2
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.13
• IUPAC Name: N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)s1
• InChI: InChI=1S/C18H22N8O3S2/c1-12-10-13(2)26(23-12)16-5-4-15(21-22-16)24-6-8-25(9-7-24)31(28,29)17-11-19-18(30-17)20-14(3)27/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,27)
• InChIKey: UGQAVMIUDOYFJU-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 126.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 122339410) is N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)s1.

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

The InChIKey is UGQAVMIUDOYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3S2/c1-12-10-13(2)26(23-12)16-5-4-15(21-22-16)24-6-8-25(9-7-24)31(28,29)17-11-19-18(30-17)20-14(3)27/h4-5,10-11H,6-9H2,1-3H3,(H,19,20,27).

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

N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 462.56 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122339410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).