2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H8N4O4S — CID 168576426

IUPAC2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(O)cc([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H8N4O4S/c15-8-2-6(1-7(3-8)14(17)18)4-11-13-10-12-9(16)5-19-10/h1-4,15H,5H2,(H,12,13,16)
InChIKeyRQBJHJYHNLZGRQ-UHFFFAOYSA-N
MW280.26 g/mol
LogP0.85
Rot. Bonds3

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

2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576426) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576426
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC Name2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2cc(O)cc([N+](=O)[O-])c2)N1
InChIInChI=1S/C10H8N4O4S/c15-8-2-6(1-7(3-8)14(17)18)4-11-13-10-12-9(16)5-19-10/h1-4,15H,5H2,(H,12,13,16)
InChIKeyRQBJHJYHNLZGRQ-UHFFFAOYSA-N
XLogP0.85
TPSA117.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574455
4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
CID 135851503
2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576284
2-[(3,5-dibromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576393
(2Z)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958588
(2E)-2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779965
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
2-[(2-hydroxy-3-nitro-5-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573860
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(4-ethoxy-3,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575997

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576426) is 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2cc(O)cc([N+](=O)[O-])c2)N1.
What is the InChIKey of 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is RQBJHJYHNLZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-8-2-6(1-7(3-8)14(17)18)4-11-13-10-12-9(16)5-19-10/h1-4,15H,5H2,(H,12,13,16).
What are the key properties of 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 280.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).