(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H11FN4O3S — CID 135799273

IUPAC(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccccc1F
InChIInChI=1S/C17H11FN4O3S/c18-14-7-2-1-5-12(14)9-15-16(23)20-17(26-15)21-19-10-11-4-3-6-13(8-11)22(24)25/h1-10H,(H,20,21,23)/b15-9-,19-10-
InChIKeySZTJXJTVRMZCHO-JHMILNJQSA-N
MW370.37 g/mol
LogP3.33
Rot. Bonds4

About (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135799273) has the molecular formula C17H11FN4O3S and a molecular weight of 370.37 g/mol. Its IUPAC name is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135799273
Molecular FormulaC17H11FN4O3S
Molecular Weight370.37 g/mol
Exact Mass370.05
IUPAC Name(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccccc1F
InChIInChI=1S/C17H11FN4O3S/c18-14-7-2-1-5-12(14)9-15-16(23)20-17(26-15)21-19-10-11-4-3-6-13(8-11)22(24)25/h1-10H,(H,20,21,23)/b15-9-,19-10-
InChIKeySZTJXJTVRMZCHO-JHMILNJQSA-N
XLogP3.33
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-nitrophenyl)methylidene]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206884
(5E)-2-[(3-nitrophenyl)methylidenehydrazinylidene]-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137231562
5-[(4-methoxyphenyl)methylidene]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135486560
(2E)-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135736424
(2E,5E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135824781
(2E)-2-(benzylidenehydrazinylidene)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135665801
(2Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135683601
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
(2E)-2-[(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135828153
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135460162
(2E,5E)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135824799
methyl (2E)-2-[(2Z)-2-[(2-fluoro-5-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924467

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135799273) is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccccc1F.
What is the InChIKey of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SZTJXJTVRMZCHO-JHMILNJQSA-N. The full InChI is InChI=1S/C17H11FN4O3S/c18-14-7-2-1-5-12(14)9-15-16(23)20-17(26-15)21-19-10-11-4-3-6-13(8-11)22(24)25/h1-10H,(H,20,21,23)/b15-9-,19-10-.
What are the key properties of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 370.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135799273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).