5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one

C10H6Cl2N2O2S — CID 135432394

IUPAC5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=NO)SC1=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(7(12)4-6)3-8-9(15)13-10(14-16)17-8/h1-4,16H,(H,13,14,15)
InChIKeyBBEUQHFNLLHWNO-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.94
Rot. Bonds1

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

5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one (PubChem CID 135432394) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
PubChem CID135432394
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=NO)SC1=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(7(12)4-6)3-8-9(15)13-10(14-16)17-8/h1-4,16H,(H,13,14,15)
InChIKeyBBEUQHFNLLHWNO-UHFFFAOYSA-N
XLogP2.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062838
[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
CID 137265880
(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
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834515
N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
CID 147110511
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523178
(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135939408
(2E)-2-[(4-chloro-3-nitrophenyl)methylidenehydrazinylidene]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135828153
2-[(E)-[2-(2,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135948022
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135531998

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one (CID 135432394) is 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one is O=C1NC(=NO)SC1=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one?
The InChIKey is BBEUQHFNLLHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(7(12)4-6)3-8-9(15)13-10(14-16)17-8/h1-4,16H,(H,13,14,15).
What are the key properties of 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one?
5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one has a molecular weight of 289.14 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135432394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).