(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one

C17H14N4O3S — CID 135798607

IUPAC(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2)SC1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O3S/c22-16-15(10-13-8-4-5-9-14(13)21(23)24)25-17(19-16)20-18-11-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,19,20,22)/b18-11+
InChIKeyYDODFSWGFLYADU-WOJGMQOQSA-N
MW354.39 g/mol
LogP2.76
Rot. Bonds5

About (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135798607) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135798607
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2)SC1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O3S/c22-16-15(10-13-8-4-5-9-14(13)21(23)24)25-17(19-16)20-18-11-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,19,20,22)/b18-11+
InChIKeyYDODFSWGFLYADU-WOJGMQOQSA-N
XLogP2.76
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135599819
(2E,5S)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135577550
2-[(2-methylphenyl)methylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135513498
2-(naphthalen-1-ylmethylidenehydrazinylidene)-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135467284
(2E,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135851686
(2E,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135554894
5-[(2-methylphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135485158
(2E,5R)-5-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135726164
(2Z)-5-[(2-methoxyphenyl)methyl]-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135421675
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(5S)-2-[(E)-[(6R)-6-methylcyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 137052624

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one (CID 135798607) is (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccccc2)SC1Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is YDODFSWGFLYADU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-16-15(10-13-8-4-5-9-14(13)21(23)24)25-17(19-16)20-18-11-12-6-2-1-3-7-12/h1-9,11,15H,10H2,(H,19,20,22)/b18-11+.
What are the key properties of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 354.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(2-nitrophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135798607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).