2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one

C26H22N4O2S — CID 1207198

IUPAC2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C)c(N2C(=O)CSC2=NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H22N4O2S/c1-17-12-13-18(2)22(14-17)30-23(31)16-33-26(30)28-27-24-20-10-6-7-11-21(20)29(25(24)32)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyMLRWVQUEUXCRLD-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.69
Rot. Bonds4

About 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one

2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 1207198) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID1207198
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C)c(N2C(=O)CSC2=NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H22N4O2S/c1-17-12-13-18(2)22(14-17)30-23(31)16-33-26(30)28-27-24-20-10-6-7-11-21(20)29(25(24)32)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyMLRWVQUEUXCRLD-UHFFFAOYSA-N
XLogP4.69
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.69
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one (CID 1207198) is 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(C)c(N2C(=O)CSC2=NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1.
What is the InChIKey of 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MLRWVQUEUXCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-17-12-13-18(2)22(14-17)30-23(31)16-33-26(30)28-27-24-20-10-6-7-11-21(20)29(25(24)32)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one?
2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 454.56 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1207198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).