(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one

C23H25N3O3S — CID 6893369

IUPAC(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@H](Cc2ccccc2C)S/C1=N\N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H25N3O3S/c1-5-12-26-22(27)21(14-18-9-7-6-8-16(18)2)30-23(26)25-24-15-17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,21H,1,12,14H2,2-4H3/b24-15-,25-23-/t21-/m0/s1
InChIKeyMRWHCGTZQWTARJ-XNVLZDBJSA-N
MW423.54 g/mol
LogP4.07
Rot. Bonds8

About (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 6893369) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID6893369
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@H](Cc2ccccc2C)S/C1=N\N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H25N3O3S/c1-5-12-26-22(27)21(14-18-9-7-6-8-16(18)2)30-23(26)25-24-15-17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,21H,1,12,14H2,2-4H3/b24-15-,25-23-/t21-/m0/s1
InChIKeyMRWHCGTZQWTARJ-XNVLZDBJSA-N
XLogP4.07
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-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,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 42034110
(2E)-2-[(4-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135600988
N-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 42994073
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 39103625
2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 5165972
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3330578
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3783813
(2Z)-2-[(E)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-butyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 46861478
(2Z,5S)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 7403905
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648312

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 6893369) is (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)[C@H](Cc2ccccc2C)S/C1=N\N=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is MRWHCGTZQWTARJ-XNVLZDBJSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-5-12-26-22(27)21(14-18-9-7-6-8-16(18)2)30-23(26)25-24-15-17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,21H,1,12,14H2,2-4H3/b24-15-,25-23-/t21-/m0/s1.
What are the key properties of (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 423.54 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6893369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).