(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C17H15N3OS — CID 5456730

IUPAC(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N\N=C2/SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C17H15N3OS/c1-13-7-9-14(10-8-13)11-18-19-17-20(16(21)12-22-17)15-5-3-2-4-6-15/h2-11H,12H2,1H3/b18-11-,19-17-
InChIKeyCXUAOOPVQFGNLX-JRHBGCFLSA-N
MW309.39 g/mol
LogP3.46
Rot. Bonds3

About (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 5456730) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID5456730
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N\N=C2/SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C17H15N3OS/c1-13-7-9-14(10-8-13)11-18-19-17-20(16(21)12-22-17)15-5-3-2-4-6-15/h2-11H,12H2,1H3/b18-11-,19-17-
InChIKeyCXUAOOPVQFGNLX-JRHBGCFLSA-N
XLogP3.46
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 4275292
(2E)-2-[(E)-(4-acetyl-5-methyl-1H-pyrrol-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 135513334
(2Z)-2-[(E)-(5-nitrothiophen-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 90675437
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 1359152
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
(2E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135932790
(2E)-3-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 98107581
(2Z)-2-[(E)-(8-bromo-7-hydroxy-5-methoxy-2-methyl-4-oxochromen-6-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 135894449
3-(3-fluorophenyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135684996
2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
CID 59813928
2-[[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)phenyl]methylidenehydrazinylidene]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 163204481

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 5456730) is (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is Cc1ccc(/C=N\N=C2/SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CXUAOOPVQFGNLX-JRHBGCFLSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-13-7-9-14(10-8-13)11-18-19-17-20(16(21)12-22-17)15-5-3-2-4-6-15/h2-11H,12H2,1H3/b18-11-,19-17-.
What are the key properties of (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5456730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).