methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate

C17H19N3O3S — CID 139218575

IUPACmethyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCCC(C)/C=N/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-4-12(2)11-18-19-17-20(13-8-6-5-7-9-13)16(22)14(24-17)10-15(21)23-3/h5-12H,4H2,1-3H3/b14-10-,18-11+,19-17-
InChIKeyJGYIUAMJSGLSEF-QVQZBCKESA-N
MW345.42 g/mol
LogP3.21
Rot. Bonds5

About methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate

methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 139218575) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
PubChem CID139218575
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Namemethyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCCC(C)/C=N/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-4-12(2)11-18-19-17-20(13-8-6-5-7-9-13)16(22)14(24-17)10-15(21)23-3/h5-12H,4H2,1-3H3/b14-10-,18-11+,19-17-
InChIKeyJGYIUAMJSGLSEF-QVQZBCKESA-N
XLogP3.21
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate 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

methyl (2Z)-2-[(2E)-2-[(E)-(4-dimethylaminophenyl)methylenehydrazono]-4-oxo-thiazolidin-5-ylidene]acetate
CID 135515607
methyl (2Z)-2-[(2Z)-4-oxo-3-phenyl-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]acetate
CID 166630016
Methyl 2-[(Z)-4-oxo-3-phenyl-2((Z)-(1-phenylethylidene)hydrazono)thiazolidin-5-ylidene]acetate
CID 139214745
methyl (2Z)-2-[(2Z)-4-oxo-3-phenyl-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-ylidene]acetate
CID 139218560
methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139218565
methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139218566
methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-but-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139218569
methyl (2Z)-2-[(2Z)-2-[(E)-2-methylpropylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139218572
methyl (2Z)-2-[(2Z)-2-[(E)-decylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139218576
Methyl (2Z)-2-[(2Z)-2-(2-cyclopentylidenehydrazin-1-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate
CID 168327095
ethyl (2E)-2-[(2Z)-4-oxo-3-phenyl-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]acetate
CID 170454006
methyl (2E)-2-[(2Z)-4-oxo-3-phenyl-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]acetate
CID 170454065

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (CID 139218575) is methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is CCC(C)/C=N/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1.
What is the InChIKey of methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is JGYIUAMJSGLSEF-QVQZBCKESA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-12(2)11-18-19-17-20(13-8-6-5-7-9-13)16(22)14(24-17)10-15(21)23-3/h5-12H,4H2,1-3H3/b14-10-,18-11+,19-17-.
What are the key properties of methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 345.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2Z)-2-[(E)-2-methylbutylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 139218575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).