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

C20H18Cl2N2OS — CID 8990753

IUPAC(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1
InChIInChI=1S/C20H18Cl2N2OS/c1-13(2)12-24-19(25)18(10-14-8-9-15(21)11-17(14)22)26-20(24)23-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/b18-10+,23-20-
InChIKeyGDGMLBUBXMQDGA-HPGAWOKTSA-N
MW405.35 g/mol
LogP6.25
Rot. Bonds4

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

(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 8990753) has the molecular formula C20H18Cl2N2OS and a molecular weight of 405.35 g/mol. Its IUPAC name is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID8990753
Molecular FormulaC20H18Cl2N2OS
Molecular Weight405.35 g/mol
Exact Mass404.05
IUPAC Name(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1
InChIInChI=1S/C20H18Cl2N2OS/c1-13(2)12-24-19(25)18(10-14-8-9-15(21)11-17(14)22)26-20(24)23-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/b18-10+,23-20-
InChIKeyGDGMLBUBXMQDGA-HPGAWOKTSA-N
XLogP6.25
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-5-[(2,4-dichlorophenyl)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

2-[2-[(Z)-[2-(4-chlorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 126096949
(5E)-2-(3-chlorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486580
(5Z)-2-(4-chlorophenyl)imino-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126097525
(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486584
(5Z)-5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126086134
(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290213
(5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126085050
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841878
(5E)-5-[(4-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 8990732
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70682219
(5Z)-2-(4-chlorophenyl)imino-5-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126089923
ethyl 4-[(E)-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 22775365

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 8990753) is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1.
What is the InChIKey of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GDGMLBUBXMQDGA-HPGAWOKTSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS/c1-13(2)12-24-19(25)18(10-14-8-9-15(21)11-17(14)22)26-20(24)23-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3/b18-10+,23-20-.
What are the key properties of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 405.35 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 8990753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).