(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C23H18N4O3S — CID 5341047

IUPAC(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccccc2)S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1c1ccccc1
InChIInChI=1S/C23H18N4O3S/c28-22-21(15-17-8-3-1-4-9-17)31-23(26(22)19-11-5-2-6-12-19)25-24-16-18-10-7-13-20(14-18)27(29)30/h1-14,16,21H,15H2/b24-16+,25-23+
InChIKeyGOMFQOTWSUTRJN-HWFUBKEOSA-N
MW430.49 g/mol
LogP4.68
Rot. Bonds6

About (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 5341047) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID5341047
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccccc2)S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1c1ccccc1
InChIInChI=1S/C23H18N4O3S/c28-22-21(15-17-8-3-1-4-9-17)31-23(26(22)19-11-5-2-6-12-19)25-24-16-18-10-7-13-20(14-18)27(29)30/h1-14,16,21H,15H2/b24-16+,25-23+
InChIKeyGOMFQOTWSUTRJN-HWFUBKEOSA-N
XLogP4.68
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
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)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-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

2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 18804116
2-[(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 4275292
(2E,5R)-5-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135726164
(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
CID 7329424
(2Z,5S)-3-benzyl-5-methyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6885036
2-[3-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 2888126
5-ethyl-3-(naphthalen-1-ylmethyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172924032
(2E)-5-[(4-bromophenyl)methyl]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135659589
(2E,5S)-3-tert-butyl-5-methyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6977052
(2E)-5-[(3-methylphenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135853813
3-(furan-2-ylmethyl)-5-[(3-nitrophenyl)methyl]-2-(pyridin-4-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3885837
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412190

Frequently Asked Questions

What is the IUPAC name of (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 5341047) is (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1C(Cc2ccccc2)S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1c1ccccc1.
What is the InChIKey of (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is GOMFQOTWSUTRJN-HWFUBKEOSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-22-21(15-17-8-3-1-4-9-17)31-23(26(22)19-11-5-2-6-12-19)25-24-16-18-10-7-13-20(14-18)27(29)30/h1-14,16,21H,15H2/b24-16+,25-23+.
What are the key properties of (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 430.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5341047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).