(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C17H11BrN4O2S — CID 177407444

IUPAC(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/N=C1/SCC(=O)N1c1ccccc1
InChIInChI=1S/C17H11BrN4O2S/c18-10-6-7-13-12(8-10)15(16(24)19-13)20-21-17-22(14(23)9-25-17)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20,24)/b21-17+
InChIKeyCLCMSZVEZJZYSD-HEHNFIMWSA-N
MW415.27 g/mol
LogP3.24
Rot. Bonds2

About (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 177407444) has the molecular formula C17H11BrN4O2S and a molecular weight of 415.27 g/mol. Its IUPAC name is (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID177407444
Molecular FormulaC17H11BrN4O2S
Molecular Weight415.27 g/mol
Exact Mass413.98
IUPAC Name(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/N=C1/SCC(=O)N1c1ccccc1
InChIInChI=1S/C17H11BrN4O2S/c18-10-6-7-13-12(8-10)15(16(24)19-13)20-21-17-22(14(23)9-25-17)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20,24)/b21-17+
InChIKeyCLCMSZVEZJZYSD-HEHNFIMWSA-N
XLogP3.24
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 172865253
3-(4-tert-butylphenyl)-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172741720
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 172694877
4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 5175041
(3E)-3-[(Z)-(4-benzylphenyl)methylidenehydrazinylidene]-5-bromo-1H-indol-2-one
CID 135903570
3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 175535811
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-3-(3-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 175375354
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(3-bromophenyl)methylidene]-3-(2,6-dimethylphenyl)-1,3-thiazolidin-4-one
CID 175252461
(2Z)-3-(4-bromophenyl)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135490447
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
(3Z)-5-bromo-3-(1,2,4-triazol-4-ylimino)-1H-indol-2-one
CID 135703568
(3E)-5-bromo-3-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylidenehydrazinylidene]-1H-indol-2-one
CID 136919140

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 177407444) is (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1Nc2ccc(Br)cc2/C1=N/N=C1/SCC(=O)N1c1ccccc1.
What is the InChIKey of (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CLCMSZVEZJZYSD-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H11BrN4O2S/c18-10-6-7-13-12(8-10)15(16(24)19-13)20-21-17-22(14(23)9-25-17)11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20,24)/b21-17+.
What are the key properties of (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 415.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 177407444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).