(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

C25H20Cl2N2O2S — CID 137089500

IUPAC(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)S2)c(C)c1
InChIInChI=1S/C25H20Cl2N2O2S/c1-15-6-9-22(16(2)10-15)28-25-29-24(30)23(32-25)12-17-4-3-5-20(11-17)31-14-18-7-8-19(26)13-21(18)27/h3-13H,14H2,1-2H3,(H,28,29,30)/b23-12+
InChIKeyNDTDUDLVLOSTEA-FSJBWODESA-N
MW483.42 g/mol
LogP7.08
Rot. Bonds5

About (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137089500) has the molecular formula C25H20Cl2N2O2S and a molecular weight of 483.42 g/mol. Its IUPAC name is (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID137089500
Molecular FormulaC25H20Cl2N2O2S
Molecular Weight483.42 g/mol
Exact Mass482.06
IUPAC Name(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)S2)c(C)c1
InChIInChI=1S/C25H20Cl2N2O2S/c1-15-6-9-22(16(2)10-15)28-25-29-24(30)23(32-25)12-17-4-3-5-20(11-17)31-14-18-7-8-19(26)13-21(18)27/h3-13H,14H2,1-2H3,(H,28,29,30)/b23-12+
InChIKeyNDTDUDLVLOSTEA-FSJBWODESA-N
XLogP7.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-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

(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 136782278
(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089504
(5E)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137079933
(5E)-2-(2,5-dichlorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062843
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137020875
3-[3-[(E)-[2-(4-hydroxy-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 135948143
2-(4-chlorophenyl)imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135447081
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137162399
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[[3-ethoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137173852
(5E)-5-[(4-butoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137045260
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089480
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135411704

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (CID 137089500) is (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)S2)c(C)c1.
What is the InChIKey of (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is NDTDUDLVLOSTEA-FSJBWODESA-N. The full InChI is InChI=1S/C25H20Cl2N2O2S/c1-15-6-9-22(16(2)10-15)28-25-29-24(30)23(32-25)12-17-4-3-5-20(11-17)31-14-18-7-8-19(26)13-21(18)27/h3-13H,14H2,1-2H3,(H,28,29,30)/b23-12+.
What are the key properties of (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 483.42 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).