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

C18H19N3O3S — CID 139218566

IUPACmethyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCCC/C=C/C=N/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-3-4-5-9-12-19-20-18-21(14-10-7-6-8-11-14)17(23)15(25-18)13-16(22)24-2/h5-13H,3-4H2,1-2H3/b9-5+,15-13-,19-12+,20-18-
InChIKeyHOLSLETUEGHYFM-HPMADIEUSA-N
MW357.44 g/mol
LogP3.52
Rot. Bonds6

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

methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 139218566) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
PubChem CID139218566
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Namemethyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCCC/C=C/C=N/N=C1\S/C(=C\C(=O)OC)C(=O)N1c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-3-4-5-9-12-19-20-18-21(14-10-7-6-8-11-14)17(23)15(25-18)13-16(22)24-2/h5-13H,3-4H2,1-2H3/b9-5+,15-13-,19-12+,20-18-
InChIKeyHOLSLETUEGHYFM-HPMADIEUSA-N
XLogP3.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.52
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (CID 139218566) is methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is CCC/C=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)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is HOLSLETUEGHYFM-HPMADIEUSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-4-5-9-12-19-20-18-21(14-10-7-6-8-11-14)17(23)15(25-18)13-16(22)24-2/h5-13H,3-4H2,1-2H3/b9-5+,15-13-,19-12+,20-18-.
What are the key properties of methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[(2Z)-2-[(E)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 357.44 g/mol, XLogP of 3.52, 6 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)-[(E)-hex-2-enylidene]hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 139218566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).