(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

C22H24N2O3S — CID 70696866

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-15(2)14-24-21(25)20(28-22(24)23-17-8-6-5-7-9-17)13-16-10-11-18(26-3)19(12-16)27-4/h5-13,15H,14H2,1-4H3/b20-13-,23-22+
InChIKeyUUJIMKKJRXUXSU-GSSCTWANSA-N
MW396.51 g/mol
LogP4.96
Rot. Bonds6

About (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 70696866) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID70696866
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-15(2)14-24-21(25)20(28-22(24)23-17-8-6-5-7-9-17)13-16-10-11-18(26-3)19(12-16)27-4/h5-13,15H,14H2,1-4H3/b20-13-,23-22+
InChIKeyUUJIMKKJRXUXSU-GSSCTWANSA-N
XLogP4.96
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-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

5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
5-{4-[(2-Fluorobenzyl)oxy]-3-methoxybenzylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135404028
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
(Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 11315069
5-[(Z)-1-(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyanilino)-1,3-thiazol-4-one
CID 135438929
3-[5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 1365629
(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1384783
3-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 1554464
3-Benzyl-2-(benzylimino)-5-(3,4-dimethoxybenzylidene)-1,3-thiazolidin-4-one
CID 2263096
3-(3,4-Dimethoxyphenethyl)-2-[(2,4-dimethylphenyl)imino]-1,3-thiazolan-4-one
CID 2732632

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 70696866) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UUJIMKKJRXUXSU-GSSCTWANSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15(2)14-24-21(25)20(28-22(24)23-17-8-6-5-7-9-17)13-16-10-11-18(26-3)19(12-16)27-4/h5-13,15H,14H2,1-4H3/b20-13-,23-22+.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 396.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 70696866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).