(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

C18H14Cl2N2O2S — CID 27436669

IUPAC(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C)c(O)c1
InChIInChI=1S/C18H14Cl2N2O2S/c1-10-3-6-14(15(23)7-10)21-18-22(2)17(24)16(25-18)8-11-4-5-12(19)9-13(11)20/h3-9,23H,1-2H3/b16-8-,21-18+
InChIKeyCPIDSXHHSVYLGQ-ZMGJGUIFSA-N
MW393.30 g/mol
LogP5.24
Rot. Bonds2

About (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one

(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 27436669) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID27436669
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C)c(O)c1
InChIInChI=1S/C18H14Cl2N2O2S/c1-10-3-6-14(15(23)7-10)21-18-22(2)17(24)16(25-18)8-11-4-5-12(19)9-13(11)20/h3-9,23H,1-2H3/b16-8-,21-18+
InChIKeyCPIDSXHHSVYLGQ-ZMGJGUIFSA-N
XLogP5.24
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 27436681
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27436653
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841775
3-[[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 7323588
(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486185
(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27433952
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486023
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 27434731
(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486227
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27429662
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27409050
(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486440

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 27436669) is (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C)c(O)c1.
What is the InChIKey of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is CPIDSXHHSVYLGQ-ZMGJGUIFSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-10-3-6-14(15(23)7-10)21-18-22(2)17(24)16(25-18)8-11-4-5-12(19)9-13(11)20/h3-9,23H,1-2H3/b16-8-,21-18+.
What are the key properties of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 393.30 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 27436669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).