(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one

C16H12N4O3S — CID 136913826

IUPAC(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Nc2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O3S/c21-15-14(10-11-6-8-13(9-7-11)20(22)23)24-16(17-15)19-18-12-4-2-1-3-5-12/h1-10,18H,(H,17,19,21)/b14-10+
InChIKeyYNDFHFHNBZQPJC-GXDHUFHOSA-N
MW340.36 g/mol
LogP3.18
Rot. Bonds4

About (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one

(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 136913826) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID136913826
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Nc2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12N4O3S/c21-15-14(10-11-6-8-13(9-7-11)20(22)23)24-16(17-15)19-18-12-4-2-1-3-5-12/h1-10,18H,(H,17,19,21)/b14-10+
InChIKeyYNDFHFHNBZQPJC-GXDHUFHOSA-N
XLogP3.18
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 135416195
N-[(E)-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 135445084
3-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]propanoic acid
CID 135404662
(5E)-2-(3-iodophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137063185
(5Z)-2-(3-hydroxyphenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135935111
methyl 2-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834827
2-(2,3-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135429995
(5E)-5-[(4-nitrophenyl)methylidene]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206884
5-[[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834631
2-(3,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523330
(5E)-2-(3,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782365
(5Z)-2-(furan-2-ylmethylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137165975

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one (CID 136913826) is (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/Nc2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is YNDFHFHNBZQPJC-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-15-14(10-11-6-8-13(9-7-11)20(22)23)24-16(17-15)19-18-12-4-2-1-3-5-12/h1-10,18H,(H,17,19,21)/b14-10+.
What are the key properties of (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one?
(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 340.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 136913826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).