2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide

C27H23N3O3S — CID 60604671

About 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 60604671) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 60604671
• Molecular Formula: C27H23N3O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.15
• IUPAC Name: 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)Oc1ccc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1
• InChI: InChI=1S/C27H23N3O3S/c1-17(2)33-19-13-11-18(12-14-19)22-16-34-27(28-22)29-25(31)15-30-23-9-5-3-7-20(23)26(32)21-8-4-6-10-24(21)30/h3-14,16-17H,15H2,1-2H3,(H,28,29,31)
• InChIKey: NTXOCGJHMSVDCR-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	5.70
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 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 60604671) is 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide is CC(C)Oc1ccc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1.

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

The InChIKey is NTXOCGJHMSVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-17(2)33-19-13-11-18(12-14-19)22-16-34-27(28-22)29-25(31)15-30-23-9-5-3-7-20(23)26(32)21-8-4-6-10-24(21)30/h3-14,16-17H,15H2,1-2H3,(H,28,29,31).

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

2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 469.57 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-oxoacridin-10-yl)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 60604671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).