(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C20H19N3O3S — CID 135734160

IUPAC(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)cc1C
InChIInChI=1S/C20H19N3O3S/c1-12-3-6-15(9-13(12)2)17(25)10-18-19(26)22-20(27-18)23-21-11-14-4-7-16(24)8-5-14/h3-9,11,18,24H,10H2,1-2H3,(H,22,23,26)/b21-11+
InChIKeyKZZVWWAQTWABPT-SRZZPIQSSA-N
MW381.46 g/mol
LogP3.20
Rot. Bonds5

About (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135734160) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135734160
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)cc1C
InChIInChI=1S/C20H19N3O3S/c1-12-3-6-15(9-13(12)2)17(25)10-18-19(26)22-20(27-18)23-21-11-14-4-7-16(24)8-5-14/h3-9,11,18,24H,10H2,1-2H3,(H,22,23,26)/b21-11+
InChIKeyKZZVWWAQTWABPT-SRZZPIQSSA-N
XLogP3.20
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)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

(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734159
(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135757222
(2Z)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135762152
5-ethyl-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135476302
(2E)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706901
(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734155
(2E)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135847141
ethyl 4-[[2-[(2E)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 135659487
(2E)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135907437
2-[2-[(6-hydroxynaphthalen-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168619904
2-[(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852241
2-[2-[(4-borono-3-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620092

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135734160) is (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(C(=O)CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)cc1C.
What is the InChIKey of (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KZZVWWAQTWABPT-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-3-6-15(9-13(12)2)17(25)10-18-19(26)22-20(27-18)23-21-11-14-4-7-16(24)8-5-14/h3-9,11,18,24H,10H2,1-2H3,(H,22,23,26)/b21-11+.
What are the key properties of (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135734160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).