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

C11H10N4O3S — CID 135631928

IUPAC(2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O
InChIInChI=1S/C11H10N4O3S/c1-7-10(16)13-11(19-7)14-12-6-8-2-4-9(5-3-8)15(17)18/h2-7H,1H3,(H,13,14,16)/b12-6+
InChIKeyVZZLYQBNZLZKQA-WUXMJOGZSA-N
MW278.29 g/mol
LogP1.54
Rot. Bonds3

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

(2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135631928) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135631928
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name(2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O
InChIInChI=1S/C11H10N4O3S/c1-7-10(16)13-11(19-7)14-12-6-8-2-4-9(5-3-8)15(17)18/h2-7H,1H3,(H,13,14,16)/b12-6+
InChIKeyVZZLYQBNZLZKQA-WUXMJOGZSA-N
XLogP1.54
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 ≤ 51.54
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

(2E,5R)-5-methyl-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135903534
5-methyl-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135514857
(2Z)-5-methyl-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135856372
(2E)-5-methyl-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925722
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057
(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135631927
2-[2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 172983981
2-[(2E)-2-[(4-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135698438

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135631928) is (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)NC1=O.
What is the InChIKey of (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VZZLYQBNZLZKQA-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-10(16)13-11(19-7)14-12-6-8-2-4-9(5-3-8)15(17)18/h2-7H,1H3,(H,13,14,16)/b12-6+.
What are the key properties of (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 278.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135631928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).