3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C22H18BrN3O2S — CID 16610620

About 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 16610620) has the molecular formula C22H18BrN3O2S and a molecular weight of 468.38 g/mol. Its IUPAC name is 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 16610620
• Molecular Formula: C22H18BrN3O2S
• Molecular Weight: 468.38 g/mol
• Exact Mass: 467.03
• IUPAC Name: 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• SMILES: O=C1NC2(CCCc3ccccc32)C(=O)N1Cc1csc(-c2cccc(Br)c2)n1
• InChI: InChI=1S/C22H18BrN3O2S/c23-16-8-3-6-15(11-16)19-24-17(13-29-19)12-26-20(27)22(25-21(26)28)10-4-7-14-5-1-2-9-18(14)22/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,25,28)
• InChIKey: ZODBLPNYHNPPLI-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.38
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 16610620) is 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCCc3ccccc32)C(=O)N1Cc1csc(-c2cccc(Br)c2)n1.

What is the InChIKey of 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is ZODBLPNYHNPPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2S/c23-16-8-3-6-15(11-16)19-24-17(13-29-19)12-26-20(27)22(25-21(26)28)10-4-7-14-5-1-2-9-18(14)22/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,25,28).

What are the key properties of 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 468.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 16610620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).