N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide

C29H20Br2N2O2S — CID 162660640

IUPACN-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide
SMILESO=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H20Br2N2O2S/c30-24-10-4-6-19(16-24)17-26-28(35)33(29(36-26)23-9-5-11-25(31)18-23)32-27(34)22-14-12-21(13-15-22)20-7-2-1-3-8-20/h1-18,29H,(H,32,34)/b26-17-
InChIKeyYWJXHDFJZBEGTI-ONUIUJJFSA-N
MW620.37 g/mol
LogP7.84
Rot. Bonds5

About N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide

N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide (PubChem CID 162660640) has the molecular formula C29H20Br2N2O2S and a molecular weight of 620.37 g/mol. Its IUPAC name is N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide
PubChem CID162660640
Molecular FormulaC29H20Br2N2O2S
Molecular Weight620.37 g/mol
Exact Mass617.96
IUPAC NameN-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide
SMILESO=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H20Br2N2O2S/c30-24-10-4-6-19(16-24)17-26-28(35)33(29(36-26)23-9-5-11-25(31)18-23)32-27(34)22-14-12-21(13-15-22)20-7-2-1-3-8-20/h1-18,29H,(H,32,34)/b26-17-
InChIKeyYWJXHDFJZBEGTI-ONUIUJJFSA-N
XLogP7.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.37
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide?
The IUPAC name of N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide (CID 162660640) is N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide is O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide?
The InChIKey is YWJXHDFJZBEGTI-ONUIUJJFSA-N. The full InChI is InChI=1S/C29H20Br2N2O2S/c30-24-10-4-6-19(16-24)17-26-28(35)33(29(36-26)23-9-5-11-25(31)18-23)32-27(34)22-14-12-21(13-15-22)20-7-2-1-3-8-20/h1-18,29H,(H,32,34)/b26-17-.
What are the key properties of N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide?
N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide has a molecular weight of 620.37 g/mol, XLogP of 7.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-2-(3-bromophenyl)-5-[(3-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-4-phenylbenzamide is sourced from PubChem (CID 162660640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).