(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

C24H26BrN3O3S — CID 2367574

About (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 2367574) has the molecular formula C24H26BrN3O3S and a molecular weight of 516.46 g/mol. Its IUPAC name is (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
• PubChem CID: 2367574
• Molecular Formula: C24H26BrN3O3S
• Molecular Weight: 516.46 g/mol
• Exact Mass: 515.09
• IUPAC Name: (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/N=C2/S/C(=C\c3ccc(Br)cc3)C(=O)N2CCCN2CCOCC2)cc1
• InChI: InChI=1S/C24H26BrN3O3S/c1-30-21-9-7-20(8-10-21)26-24-28(12-2-11-27-13-15-31-16-14-27)23(29)22(32-24)17-18-3-5-19(25)6-4-18/h3-10,17H,2,11-16H2,1H3/b22-17-,26-24+
• InChIKey: MZPSBWWZKLXFDP-JDQSIPCVSA-N
• XLogP: 4.78
• TPSA: 54.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.46
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 2367574) is (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is COc1ccc(/N=C2/S/C(=C\c3ccc(Br)cc3)C(=O)N2CCCN2CCOCC2)cc1.

What is the InChIKey of (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?

The InChIKey is MZPSBWWZKLXFDP-JDQSIPCVSA-N. The full InChI is InChI=1S/C24H26BrN3O3S/c1-30-21-9-7-20(8-10-21)26-24-28(12-2-11-27-13-15-31-16-14-27)23(29)22(32-24)17-18-3-5-19(25)6-4-18/h3-10,17H,2,11-16H2,1H3/b22-17-,26-24+.

What are the key properties of (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?

(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 516.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2367574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).