(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C19H16N4O2S — CID 135503853

IUPAC(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)C(C)S/C2=N/N=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H16N4O2S/c1-11-7-9-13(10-8-11)23-18(25)12(2)26-19(23)22-21-16-14-5-3-4-6-15(14)20-17(16)24/h3-10,12H,1-2H3,(H,20,21,24)/b22-19+
InChIKeyRPSWICTYNFKREO-ZBJSNUHESA-N
MW364.43 g/mol
LogP3.18
Rot. Bonds2

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

(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135503853) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135503853
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)C(C)S/C2=N/N=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H16N4O2S/c1-11-7-9-13(10-8-11)23-18(25)12(2)26-19(23)22-21-16-14-5-3-4-6-15(14)20-17(16)24/h3-10,12H,1-2H3,(H,20,21,24)/b22-19+
InChIKeyRPSWICTYNFKREO-ZBJSNUHESA-N
XLogP3.18
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.18
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

(2Z)-2-(1-Butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 6519189
N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-{2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135427605
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135428287
N-{2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}acetamide
CID 135467358
2-[(6-benzyl-5-hydroxy-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 135656482
N-(2,4-dimethylphenyl)-2-((6-(4-methylbenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135686548
N-[2-(3-butylsulfanyl-5-oxo-2H-1,2,4-triazin-6-yl)phenyl]acetamide
CID 135401722
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135425360
3'-(4-methylphenyl)-4'H-spiro[indole-3,2'-[1,3]thiazolidine]-2,4'(1H)-dione
CID 647266
(2Z)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one
CID 135436322

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135503853) is (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)C(C)S/C2=N/N=C2/C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is RPSWICTYNFKREO-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-7-9-13(10-8-11)23-18(25)12(2)26-19(23)22-21-16-14-5-3-4-6-15(14)20-17(16)24/h3-10,12H,1-2H3,(H,20,21,24)/b22-19+.
What are the key properties of (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 364.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135503853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).