(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H14N4OS — CID 135486018

IUPAC(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C12H14N4OS/c1-16(2)10-5-3-9(4-6-10)7-13-15-12-14-11(17)8-18-12/h3-7H,8H2,1-2H3,(H,14,15,17)/b13-7+
InChIKeyAOFVYOCIKCHIBD-NTUHNPAUSA-N
MW262.34 g/mol
LogP1.31
Rot. Bonds3

About (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135486018) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135486018
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C12H14N4OS/c1-16(2)10-5-3-9(4-6-10)7-13-15-12-14-11(17)8-18-12/h3-7H,8H2,1-2H3,(H,14,15,17)/b13-7+
InChIKeyAOFVYOCIKCHIBD-NTUHNPAUSA-N
XLogP1.31
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
(2E)-2-[(2E)-(4-nitrobenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-4-ol
CID 135458975
2-((5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)-N-(p-tolyl)acetamide
CID 16034800
2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(p-tolyl)acetamide
CID 135831424
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 49843031
methyl (2Z)-2-[(2E)-2-[(E)-(4-dimethylaminophenyl)methylenehydrazono]-4-oxo-thiazolidin-5-ylidene]acetate
CID 135515607
2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-(4-methylphenyl)acetamide
CID 1711726
4-(Dimethylamino)benzaldehyde (5-{4-nitrobenzylidene}-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135510985
2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 135831423
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376629
2-((Z)-2-((E)-(4-(dimethylamino)benzylidene)hydrazono)-4-oxothiazolidin-5-yl)acetic acid
CID 135630366
(2Z)-3-[(4-aminophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 127048216

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135486018) is (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=N/N=C2\NC(=O)CS2)cc1.
What is the InChIKey of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AOFVYOCIKCHIBD-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16(2)10-5-3-9(4-6-10)7-13-15-12-14-11(17)8-18-12/h3-7H,8H2,1-2H3,(H,14,15,17)/b13-7+.
What are the key properties of (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 262.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135486018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).