N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide

C25H17N5O3S — CID 17361625

About N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide (PubChem CID 17361625) has the molecular formula C25H17N5O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
• PubChem CID: 17361625
• Molecular Formula: C25H17N5O3S
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.11
• IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
• SMILES: Cc1csc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)n1
• InChI: InChI=1S/C25H17N5O3S/c1-15-14-34-25(26-15)27-22(31)16-7-12-20-21(13-16)24(33)30(23(20)32)19-10-8-18(9-11-19)29-28-17-5-3-2-4-6-17/h2-14H,1H3,(H,26,27,31)/b29-28+
• InChIKey: RYBOZXFAAPDPJP-ZQHSETAFSA-N
• XLogP: 5.92
• TPSA: 104.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide?

The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide (CID 17361625) is N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide.

What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide?

The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide is Cc1csc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)n1.

What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide?

The InChIKey is RYBOZXFAAPDPJP-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H17N5O3S/c1-15-14-34-25(26-15)27-22(31)16-7-12-20-21(13-16)24(33)30(23(20)32)19-10-8-18(9-11-19)29-28-17-5-3-2-4-6-17/h2-14H,1H3,(H,26,27,31)/b29-28+.

What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide?

N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 17361625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).