2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide

C20H20N4O4S — CID 135442310

IUPAC2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=NN=Cc3ccc(O)cc3O)NC2=O)c(C)c1
InChIInChI=1S/C20H20N4O4S/c1-11-3-6-15(12(2)7-11)22-18(27)9-17-19(28)23-20(29-17)24-21-10-13-4-5-14(25)8-16(13)26/h3-8,10,17,25-26H,9H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyRIVRZJPEZIOPCH-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide

2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 135442310) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID135442310
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=NN=Cc3ccc(O)cc3O)NC2=O)c(C)c1
InChIInChI=1S/C20H20N4O4S/c1-11-3-6-15(12(2)7-11)22-18(27)9-17-19(28)23-20(29-17)24-21-10-13-4-5-14(25)8-16(13)26/h3-8,10,17,25-26H,9H2,1-2H3,(H,22,27)(H,23,24,28)
InChIKeyRIVRZJPEZIOPCH-UHFFFAOYSA-N
XLogP2.66
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135755227
N-(2,4-dimethylphenyl)-2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136666637
N-(3-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135736524
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135752308
2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135488410
2-[(2E)-2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 135796453
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
N-(2,5-dimethylphenyl)-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135641404
N-(3-chloro-2-methylphenyl)-2-[(2Z,5R)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135913114
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135563440
2-[2-[(2-chloro-4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168619906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide (CID 135442310) is 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CC2SC(=NN=Cc3ccc(O)cc3O)NC2=O)c(C)c1.
What is the InChIKey of 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is RIVRZJPEZIOPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-11-3-6-15(12(2)7-11)22-18(27)9-17-19(28)23-20(29-17)24-21-10-13-4-5-14(25)8-16(13)26/h3-8,10,17,25-26H,9H2,1-2H3,(H,22,27)(H,23,24,28).
What are the key properties of 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 412.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 135442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).