4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate

C10H7N4O4S- — CID 135851503

IUPAC4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
SMILESO=C1CS/C(=N\N=C/c2cc([N+](=O)[O-])ccc2[O-])N1
InChIInChI=1S/C10H8N4O4S/c15-8-2-1-7(14(17)18)3-6(8)4-11-13-10-12-9(16)5-19-10/h1-4,15H,5H2,(H,12,13,16)/p-1/b11-4-
InChIKeyANHXICUXPQQMPD-WCIBSUBMSA-M
MW279.26 g/mol
LogP0.22
Rot. Bonds3

About 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate

4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate (PubChem CID 135851503) has the molecular formula C10H7N4O4S- and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
PubChem CID135851503
Molecular FormulaC10H7N4O4S-
Molecular Weight279.26 g/mol
Exact Mass279.02
IUPAC Name4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
SMILESO=C1CS/C(=N\N=C/c2cc([N+](=O)[O-])ccc2[O-])N1
InChIInChI=1S/C10H8N4O4S/c15-8-2-1-7(14(17)18)3-6(8)4-11-13-10-12-9(16)5-19-10/h1-4,15H,5H2,(H,12,13,16)/p-1/b11-4-
InChIKeyANHXICUXPQQMPD-WCIBSUBMSA-M
XLogP0.22
TPSA120.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
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-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938
2-[[2-(4-fluorophenyl)sulfanyl-5-nitrophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574539
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576426
(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-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576284
2-[(2-hydroxy-3-nitro-5-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573860
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608
2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575058
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate?
The IUPAC name of 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate (CID 135851503) is 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate?
The canonical SMILES for 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate is O=C1CS/C(=N\N=C/c2cc([N+](=O)[O-])ccc2[O-])N1.
What is the InChIKey of 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate?
The InChIKey is ANHXICUXPQQMPD-WCIBSUBMSA-M. The full InChI is InChI=1S/C10H8N4O4S/c15-8-2-1-7(14(17)18)3-6(8)4-11-13-10-12-9(16)5-19-10/h1-4,15H,5H2,(H,12,13,16)/p-1/b11-4-.
What are the key properties of 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate?
4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate has a molecular weight of 279.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 135851503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).