N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C22H19N5O4S — CID 24627844

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 24627844) has the molecular formula C22H19N5O4S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 24627844
• Molecular Formula: C22H19N5O4S
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.12
• IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: CC(=O)Nc1ccc2nc(NC(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)sc2c1
• InChI: InChI=1S/C22H19N5O4S/c1-12(28)23-14-6-7-16-17(10-14)32-20(24-16)25-18(29)11-27-19(30)22(26-21(27)31)9-8-13-4-2-3-5-15(13)22/h2-7,10H,8-9,11H2,1H3,(H,23,28)(H,26,31)(H,24,25,29)
• InChIKey: UVDRQRSQWGGBNU-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 120.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 24627844) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CC(=O)Nc1ccc2nc(NC(=O)CN3C(=O)NC4(CCc5ccccc54)C3=O)sc2c1.

What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is UVDRQRSQWGGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S/c1-12(28)23-14-6-7-16-17(10-14)32-20(24-16)25-18(29)11-27-19(30)22(26-21(27)31)9-8-13-4-2-3-5-15(13)22/h2-7,10H,8-9,11H2,1H3,(H,23,28)(H,26,31)(H,24,25,29).

What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 449.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 24627844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).