(2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

C12H11N3OS — CID 135628899

IUPAC(2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/C=C/c2ccccc2)N1
InChIInChI=1S/C12H11N3OS/c16-11-9-17-12(14-11)15-13-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,16)/b7-4+,13-8+
InChIKeyOTYXXAFWZHSVEM-ZAUJTXRMSA-N
MW245.31 g/mol
LogP1.90
Rot. Bonds3

About (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135628899) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135628899
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name(2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/C=C/c2ccccc2)N1
InChIInChI=1S/C12H11N3OS/c16-11-9-17-12(14-11)15-13-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,16)/b7-4+,13-8+
InChIKeyOTYXXAFWZHSVEM-ZAUJTXRMSA-N
XLogP1.90
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(Benzylideneamino)-2-imino-1,3-thiazolidin-4-one
CID 9586207
4-Bromobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135444060
Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
3-[(2-phenylethyl)thio]-1,2,4-triazin-5(4H)-one
CID 135485459
3-[(3-Methylbenzyl)sulfanyl]-1,2,4-triazin-5-ol
CID 135509367
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
4-Fluorobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-YL)hydrazone
CID 135631924
(2E)-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135536623
3-Methylbenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135547320
2-[(2E)-2-(3-bromobenzylidene)hydrazinyl]-1,3-thiazol-4(5H)-one
CID 135641774
(2E)-2-[(E)-(3-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066072
(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066073

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (CID 135628899) is (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/C=C/c2ccccc2)N1.
What is the InChIKey of (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is OTYXXAFWZHSVEM-ZAUJTXRMSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-11-9-17-12(14-11)15-13-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,16)/b7-4+,13-8+.
What are the key properties of (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 245.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135628899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).