5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one

C19H10BrCl2N3O3S — CID 135459637

About 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one

5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135459637) has the molecular formula C19H10BrCl2N3O3S and a molecular weight of 511.18 g/mol. Its IUPAC name is 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
• PubChem CID: 135459637
• Molecular Formula: C19H10BrCl2N3O3S
• Molecular Weight: 511.18 g/mol
• Exact Mass: 508.90
• IUPAC Name: 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
• SMILES: CC(=O)N1C(=O)C(=C2S/C(=N/c3cc(Cl)cc(Cl)c3)NC2=O)c2cc(Br)ccc21
• InChI: InChI=1S/C19H10BrCl2N3O3S/c1-8(26)25-14-3-2-9(20)4-13(14)15(18(25)28)16-17(27)24-19(29-16)23-12-6-10(21)5-11(22)7-12/h2-7H,1H3,(H,23,24,27)
• InChIKey: ZZMOGQDPEJGHJE-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 78.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.18
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?

The IUPAC name of 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 135459637) is 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?

The canonical SMILES for 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one is CC(=O)N1C(=O)C(=C2S/C(=N/c3cc(Cl)cc(Cl)c3)NC2=O)c2cc(Br)ccc21.

What is the InChIKey of 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?

The InChIKey is ZZMOGQDPEJGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrCl2N3O3S/c1-8(26)25-14-3-2-9(20)4-13(14)15(18(25)28)16-17(27)24-19(29-16)23-12-6-10(21)5-11(22)7-12/h2-7H,1H3,(H,23,24,27).

What are the key properties of 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?

5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 511.18 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135459637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).