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

C16H10Cl2N2OS — CID 135533150

IUPAC(5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)9-14-15(21)20-16(22-14)19-13-4-2-1-3-12(13)18/h1-9H,(H,19,20,21)/b14-9+
InChIKeyAUJFOCXNPURNFR-NTEUORMPSA-N
MW349.24 g/mol
LogP4.89
Rot. Bonds2

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

(5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135533150) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135533150
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name(5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)9-14-15(21)20-16(22-14)19-13-4-2-1-3-12(13)18/h1-9H,(H,19,20,21)/b14-9+
InChIKeyAUJFOCXNPURNFR-NTEUORMPSA-N
XLogP4.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 54.89
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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
2-(2-Chloro-phenylimino)-5-(3-nitro-benzylidene)-thiazolidin-4-one
CID 135512886
(5E)-2-[(2-chlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
CID 135442979
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
(4Z)-2-(2-chloroanilino)-4-[(2,4-dichlorophenyl)methylene]-1H-imidazol-5-one
CID 135436262
2-[(4-chlorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135450344
4-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 135498108
5-(4-Chlorobenzylidene)-2-{[4-(dimethylamino)phenyl]imino}-1,3-thiazolidin-4-one
CID 135971380
(2Z,5Z)-2-(Benzylimino)-5-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137287456
2-(3-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135665679
2-(2-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135700427

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135533150) is (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AUJFOCXNPURNFR-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)9-14-15(21)20-16(22-14)19-13-4-2-1-3-12(13)18/h1-9H,(H,19,20,21)/b14-9+.
What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 349.24 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135533150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).