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

C16H9Cl3N2OS — CID 137062838

IUPAC(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2OS/c17-10-2-1-3-12(7-10)20-16-21-15(22)14(23-16)6-9-4-5-11(18)8-13(9)19/h1-8H,(H,20,21,22)/b14-6+
InChIKeyCVTWASDDRJHSQD-MKMNVTDBSA-N
MW383.69 g/mol
LogP5.54
Rot. Bonds2

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

(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137062838) has the molecular formula C16H9Cl3N2OS and a molecular weight of 383.69 g/mol. Its IUPAC name is (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137062838
Molecular FormulaC16H9Cl3N2OS
Molecular Weight383.69 g/mol
Exact Mass381.95
IUPAC Name(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2OS/c17-10-2-1-3-12(7-10)20-16-21-15(22)14(23-16)6-9-4-5-11(18)8-13(9)19/h1-8H,(H,20,21,22)/b14-6+
InChIKeyCVTWASDDRJHSQD-MKMNVTDBSA-N
XLogP5.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.69
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155626
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523178
(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155679
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135602974
(5Z)-2-(2-bromophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135844599
5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135432394
(5Z)-2-(3-chlorophenyl)imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522684
(5Z)-2-(3-chlorophenyl)imino-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 137122288
(5E)-2-(3-chlorophenyl)imino-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062898
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834515
(5Z)-2-(3-chlorophenyl)imino-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137137597

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 137062838) is (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CVTWASDDRJHSQD-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H9Cl3N2OS/c17-10-2-1-3-12(7-10)20-16-21-15(22)14(23-16)6-9-4-5-11(18)8-13(9)19/h1-8H,(H,20,21,22)/b14-6+.
What are the key properties of (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 383.69 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137062838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).