(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one

C18H13Cl3N2O3S — CID 137080480

IUPAC(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cc(Cl)c(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC
InChIInChI=1S/C18H13Cl3N2O3S/c1-25-13-6-9(11(20)8-14(13)26-2)7-15-17(24)23-18(27-15)22-12-5-3-4-10(19)16(12)21/h3-8H,1-2H3,(H,22,23,24)/b15-7+
InChIKeyQOSQYYRIHHFCHI-VIZOYTHASA-N
MW443.74 g/mol
LogP5.56
Rot. Bonds4

About (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137080480) has the molecular formula C18H13Cl3N2O3S and a molecular weight of 443.74 g/mol. Its IUPAC name is (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137080480
Molecular FormulaC18H13Cl3N2O3S
Molecular Weight443.74 g/mol
Exact Mass441.97
IUPAC Name(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cc(Cl)c(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC
InChIInChI=1S/C18H13Cl3N2O3S/c1-25-13-6-9(11(20)8-14(13)26-2)7-15-17(24)23-18(27-15)22-12-5-3-4-10(19)16(12)21/h3-8H,1-2H3,(H,22,23,24)/b15-7+
InChIKeyQOSQYYRIHHFCHI-VIZOYTHASA-N
XLogP5.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.74
LogP ≤ 55.56
H-Bond Donors ≤ 51
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 (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)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

(5Z)-2-(2,3-dichlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135518542
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(5-chloro-2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137162414
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118980
(5E)-5-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137080263
(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137050334
2-(3-chloro-2-methylphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135485216
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135438909
(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135603025
(5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135448786
(5E)-2-(2,3-dichlorophenyl)imino-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 137050986
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064817
(5E)-5-[[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137050243

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 137080480) is (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one is COc1cc(Cl)c(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC.
What is the InChIKey of (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is QOSQYYRIHHFCHI-VIZOYTHASA-N. The full InChI is InChI=1S/C18H13Cl3N2O3S/c1-25-13-6-9(11(20)8-14(13)26-2)7-15-17(24)23-18(27-15)22-12-5-3-4-10(19)16(12)21/h3-8H,1-2H3,(H,22,23,24)/b15-7+.
What are the key properties of (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 443.74 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137080480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).