2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

C17H12BrN3O2S — CID 135834518

IUPAC2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESNC(=O)c1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(Br)cc2)S1
InChIInChI=1S/C17H12BrN3O2S/c18-11-7-5-10(6-8-11)9-14-16(23)21-17(24-14)20-13-4-2-1-3-12(13)15(19)22/h1-9H,(H2,19,22)(H,20,21,23)/b14-9-
InChIKeyAMYVSSIUWAQYGI-ZROIWOOFSA-N
MW402.27 g/mol
LogP3.44
Rot. Bonds3

About 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (PubChem CID 135834518) has the molecular formula C17H12BrN3O2S and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
PubChem CID135834518
Molecular FormulaC17H12BrN3O2S
Molecular Weight402.27 g/mol
Exact Mass400.98
IUPAC Name2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESNC(=O)c1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(Br)cc2)S1
InChIInChI=1S/C17H12BrN3O2S/c18-11-7-5-10(6-8-11)9-14-16(23)21-17(24-14)20-13-4-2-1-3-12(13)15(19)22/h1-9H,(H2,19,22)(H,20,21,23)/b14-9-
InChIKeyAMYVSSIUWAQYGI-ZROIWOOFSA-N
XLogP3.44
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834514
methyl 4-[(Z)-[2-(2-carbamoylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135834508
2-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834503
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834515
methyl 2-[[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834801
(5E)-2-(2-bromophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782339
2-[[5-[(4-ethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135523492
methyl 2-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834762
(5Z)-5-[(4-bromophenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135421066
2-[[(5Z)-5-[[4-(1-carboxyethoxy)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135941379
methyl 2-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834827

Frequently Asked Questions

What is the IUPAC name of 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The IUPAC name of 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (CID 135834518) is 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The canonical SMILES for 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is NC(=O)c1ccccc1/N=C1\NC(=O)/C(=C/c2ccc(Br)cc2)S1.
What is the InChIKey of 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The InChIKey is AMYVSSIUWAQYGI-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H12BrN3O2S/c18-11-7-5-10(6-8-11)9-14-16(23)21-17(24-14)20-13-4-2-1-3-12(13)15(19)22/h1-9H,(H2,19,22)(H,20,21,23)/b14-9-.
What are the key properties of 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide has a molecular weight of 402.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is sourced from PubChem (CID 135834518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).