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

C11H10N4O3S — CID 168576284

IUPAC2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C=NN=C2NC(=O)CS2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3S/c1-7-2-3-8(4-9(7)15(17)18)5-12-14-11-13-10(16)6-19-11/h2-5H,6H2,1H3,(H,13,14,16)
InChIKeyDLOICDIYAABLMK-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.46
Rot. Bonds3

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

2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576284) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576284
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C=NN=C2NC(=O)CS2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3S/c1-7-2-3-8(4-9(7)15(17)18)5-12-14-11-13-10(16)6-19-11/h2-5H,6H2,1H3,(H,13,14,16)
InChIKeyDLOICDIYAABLMK-UHFFFAOYSA-N
XLogP1.46
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.46
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-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574455
2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575058
2-[[3-(3,4-dimethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573879
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
(2E)-2-[(Z)-[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135582314
2-[[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574677
2-[(3-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576426
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576284) is 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(C=NN=C2NC(=O)CS2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DLOICDIYAABLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-2-3-8(4-9(7)15(17)18)5-12-14-11-13-10(16)6-19-11/h2-5H,6H2,1H3,(H,13,14,16).
What are the key properties of 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 278.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).