N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C25H18BrN5O4S — CID 136912522

About N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 136912522) has the molecular formula C25H18BrN5O4S and a molecular weight of 564.42 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 136912522
• Molecular Formula: C25H18BrN5O4S
• Molecular Weight: 564.42 g/mol
• Exact Mass: 563.03
• IUPAC Name: N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(C[C@@H]1S/C(=N\N=C2\C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1
• InChI: InChI=1S/C25H18BrN5O4S/c26-14-5-7-15(8-6-14)27-21(33)13-20-24(35)31(16-9-11-17(32)12-10-16)25(36-20)30-29-22-18-3-1-2-4-19(18)28-23(22)34/h1-12,20,32H,13H2,(H,27,33)(H,28,29,34)/b30-25-/t20-/m0/s1
• InChIKey: LJPZZANOQBKRAS-KGBRYYHFSA-N
• XLogP: 4.34
• TPSA: 123.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.42
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 136912522) is N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@@H]1S/C(=N\N=C2\C(=O)Nc3ccccc32)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1.

What is the InChIKey of N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is LJPZZANOQBKRAS-KGBRYYHFSA-N. The full InChI is InChI=1S/C25H18BrN5O4S/c26-14-5-7-15(8-6-14)27-21(33)13-20-24(35)31(16-9-11-17(32)12-10-16)25(36-20)30-29-22-18-3-1-2-4-19(18)28-23(22)34/h1-12,20,32H,13H2,(H,27,33)(H,28,29,34)/b30-25-/t20-/m0/s1.

What are the key properties of N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 564.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromophenyl)-2-[(2Z,5S)-3-(4-hydroxyphenyl)-4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 136912522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).