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

C10H8N4O3S — CID 135909095

IUPAC2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C\c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5-
InChIKeyYNQAVHDYELGQNG-WZUFQYTHSA-N
MW264.27 g/mol
LogP1.15
Rot. Bonds3

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

2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135909095) has the molecular formula C10H8N4O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135909095
Molecular FormulaC10H8N4O3S
Molecular Weight264.27 g/mol
Exact Mass264.03
IUPAC Name2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C\c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5-
InChIKeyYNQAVHDYELGQNG-WZUFQYTHSA-N
XLogP1.15
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.15
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'}

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Related Compounds

2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938
2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576426
4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
CID 135851503
2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576284
5-methyl-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135514857
2-[[3-(3,4-dimethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573879
(2Z)-5-methyl-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135856372
(5E)-5-[(4-nitrophenyl)methylidene]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206884
2-[[3-[4-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576544
2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
(2E,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135799273

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135909095) is 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=N/N=C\c2cccc([N+](=O)[O-])c2)N1.
What is the InChIKey of 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YNQAVHDYELGQNG-WZUFQYTHSA-N. The full InChI is InChI=1S/C10H8N4O3S/c15-9-6-18-10(12-9)13-11-5-7-2-1-3-8(4-7)14(16)17/h1-5H,6H2,(H,12,13,15)/b11-5-.
What are the key properties of 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 264.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135909095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).