N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C24H17N5O5S — CID 108798398

About N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108798398) has the molecular formula C24H17N5O5S and a molecular weight of 487.50 g/mol. Its IUPAC name is N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
• PubChem CID: 108798398
• Molecular Formula: C24H17N5O5S
• Molecular Weight: 487.50 g/mol
• Exact Mass: 487.10
• IUPAC Name: N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
• SMILES: Cc1cccc(-n2nc(C(=O)Nc3ncc(CN4C(=O)c5ccccc5C4=O)s3)c(O)cc2=O)c1
• InChI: InChI=1S/C24H17N5O5S/c1-13-5-4-6-14(9-13)29-19(31)10-18(30)20(27-29)21(32)26-24-25-11-15(35-24)12-28-22(33)16-7-2-3-8-17(16)23(28)34/h2-11,30H,12H2,1H3,(H,25,26,32)
• InChIKey: NCMUXSGMWDASEH-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 134.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.50
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?

The IUPAC name of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 108798398) is N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ncc(CN4C(=O)c5ccccc5C4=O)s3)c(O)cc2=O)c1.

What is the InChIKey of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?

The InChIKey is NCMUXSGMWDASEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O5S/c1-13-5-4-6-14(9-13)29-19(31)10-18(30)20(27-29)21(32)26-24-25-11-15(35-24)12-28-22(33)16-7-2-3-8-17(16)23(28)34/h2-11,30H,12H2,1H3,(H,25,26,32).

What are the key properties of N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?

N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108798398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).