(2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C26H19BrN4O2S — CID 135851288

About (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135851288) has the molecular formula C26H19BrN4O2S and a molecular weight of 531.44 g/mol. Its IUPAC name is (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135851288
• Molecular Formula: C26H19BrN4O2S
• Molecular Weight: 531.44 g/mol
• Exact Mass: 530.04
• IUPAC Name: (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C(CC1S/C(=N\N=C\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)c1ccc(Br)cc1
• InChI: InChI=1S/C26H19BrN4O2S/c27-18-12-10-16(11-13-18)22(32)14-23-25(33)30-26(34-23)31-28-15-20-19-8-4-5-9-21(19)29-24(20)17-6-2-1-3-7-17/h1-13,15,23,29H,14H2,(H,30,31,33)/b28-15+
• InChIKey: WFQBELCEWPZURM-RWPZCVJISA-N
• XLogP: 5.79
• TPSA: 86.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.44
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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 (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135851288) is (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C(CC1S/C(=N\N=C\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)c1ccc(Br)cc1.

What is the InChIKey of (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is WFQBELCEWPZURM-RWPZCVJISA-N. The full InChI is InChI=1S/C26H19BrN4O2S/c27-18-12-10-16(11-13-18)22(32)14-23-25(33)30-26(34-23)31-28-15-20-19-8-4-5-9-21(19)29-24(20)17-6-2-1-3-7-17/h1-13,15,23,29H,14H2,(H,30,31,33)/b28-15+.

What are the key properties of (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

(2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 531.44 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135851288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).