N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide

C26H21N3O3S — CID 134051470

About N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 134051470) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 134051470
• Molecular Formula: C26H21N3O3S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.13
• IUPAC Name: N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: COc1ccc(C)cc1-c1csc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1
• InChI: InChI=1S/C26H21N3O3S/c1-16-11-12-23(32-2)19(13-16)20-15-33-26(27-20)28-24(30)14-29-21-9-5-3-7-17(21)25(31)18-8-4-6-10-22(18)29/h3-13,15H,14H2,1-2H3,(H,27,28,30)
• InChIKey: MDAFRZKBORJWKH-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide (CID 134051470) is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide.

What is the SMILES notation for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?

The canonical SMILES for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide is COc1ccc(C)cc1-c1csc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1.

What is the InChIKey of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?

The InChIKey is MDAFRZKBORJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-16-11-12-23(32-2)19(13-16)20-15-33-26(27-20)28-24(30)14-29-21-9-5-3-7-17(21)25(31)18-8-4-6-10-22(18)29/h3-13,15H,14H2,1-2H3,(H,27,28,30).

What are the key properties of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide?

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 455.54 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 134051470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).