(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C16H9Cl3N2O2S — CID 135628758

IUPAC(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H9Cl3N2O2S/c17-9-5-8(14(22)11(19)7-9)6-13-15(23)21-16(24-13)20-12-4-2-1-3-10(12)18/h1-7,22H,(H,20,21,23)/b13-6+
InChIKeyCGKPKBAUPWTMTI-AWNIVKPZSA-N
MW399.69 g/mol
LogP5.24
Rot. Bonds2

About (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135628758) has the molecular formula C16H9Cl3N2O2S and a molecular weight of 399.69 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135628758
Molecular FormulaC16H9Cl3N2O2S
Molecular Weight399.69 g/mol
Exact Mass397.95
IUPAC Name(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H9Cl3N2O2S/c17-9-5-8(14(22)11(19)7-9)6-13-15(23)21-16(24-13)20-12-4-2-1-3-10(12)18/h1-7,22H,(H,20,21,23)/b13-6+
InChIKeyCGKPKBAUPWTMTI-AWNIVKPZSA-N
XLogP5.24
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.69
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', '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)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135411700
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135745028
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135488680
2-(2-chlorophenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486647
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135527532
(5Z)-2-(2-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171983322
2-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135698846
(5Z)-2-(2-chlorophenyl)imino-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137059824
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137088984
3-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135759535

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135628758) is (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CGKPKBAUPWTMTI-AWNIVKPZSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2S/c17-9-5-8(14(22)11(19)7-9)6-13-15(23)21-16(24-13)20-12-4-2-1-3-10(12)18/h1-7,22H,(H,20,21,23)/b13-6+.
What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 399.69 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135628758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).