(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one

C24H19N5OS — CID 10598471

IUPAC(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CS/C2=N/Nc2nc3ccccc3nc2-c2ccccc2)c1
InChIInChI=1S/C24H19N5OS/c1-16-8-7-11-18(14-16)29-21(30)15-31-24(29)28-27-23-22(17-9-3-2-4-10-17)25-19-12-5-6-13-20(19)26-23/h2-14H,15H2,1H3,(H,26,27)/b28-24+
InChIKeyNEFMZPCAVZXOSJ-ZZIIXHQDSA-N
MW425.52 g/mol
LogP5.07
Rot. Bonds4

About (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 10598471) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID10598471
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CS/C2=N/Nc2nc3ccccc3nc2-c2ccccc2)c1
InChIInChI=1S/C24H19N5OS/c1-16-8-7-11-18(14-16)29-21(30)15-31-24(29)28-27-23-22(17-9-3-2-4-10-17)25-19-12-5-6-13-20(19)26-23/h2-14H,15H2,1H3,(H,26,27)/b28-24+
InChIKeyNEFMZPCAVZXOSJ-ZZIIXHQDSA-N
XLogP5.07
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one (CID 10598471) is (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CS/C2=N/Nc2nc3ccccc3nc2-c2ccccc2)c1.
What is the InChIKey of (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NEFMZPCAVZXOSJ-ZZIIXHQDSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16-8-7-11-18(14-16)29-21(30)15-31-24(29)28-27-23-22(17-9-3-2-4-10-17)25-19-12-5-6-13-20(19)26-23/h2-14H,15H2,1H3,(H,26,27)/b28-24+.
What are the key properties of (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 425.52 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-methylphenyl)-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10598471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).