(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

C18H17N3O3S — CID 135942078

IUPAC(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-14-9-8-12(10-15(14)24-2)11-19-21-18-20-17(22)16(25-18)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,20,21,22)/b19-11+
InChIKeyJHRSGCHCESKDJE-YBFXNURJSA-N
MW355.42 g/mol
LogP3.00
Rot. Bonds5

About (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135942078) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135942078
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-14-9-8-12(10-15(14)24-2)11-19-21-18-20-17(22)16(25-18)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,20,21,22)/b19-11+
InChIKeyJHRSGCHCESKDJE-YBFXNURJSA-N
XLogP3.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696
(5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135906037
2-[(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135444282
(2Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135650471
(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135852398
2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135513567
(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135648218
2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135766270
(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135523730
2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135482577
(2E)-5-[(4-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135747355

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 135942078) is (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is COc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)S2)cc1OC.
What is the InChIKey of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is JHRSGCHCESKDJE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-9-8-12(10-15(14)24-2)11-19-21-18-20-17(22)16(25-18)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,20,21,22)/b19-11+.
What are the key properties of (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 355.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135942078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).