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

C23H17ClN2OS — CID 5290213

IUPAC(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H17ClN2OS/c24-20-14-8-7-11-18(20)15-21-22(27)26(16-17-9-3-1-4-10-17)23(28-21)25-19-12-5-2-6-13-19/h1-15H,16H2/b21-15+,25-23-
InChIKeyJEIJASCQJQMZKP-DBSKITMISA-N
MW404.92 g/mol
LogP6.14
Rot. Bonds4

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

(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 5290213) has the molecular formula C23H17ClN2OS and a molecular weight of 404.92 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID5290213
Molecular FormulaC23H17ClN2OS
Molecular Weight404.92 g/mol
Exact Mass404.08
IUPAC Name(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H17ClN2OS/c24-20-14-8-7-11-18(20)15-21-22(27)26(16-17-9-3-1-4-10-17)23(28-21)25-19-12-5-2-6-13-19/h1-15H,16H2/b21-15+,25-23-
InChIKeyJEIJASCQJQMZKP-DBSKITMISA-N
XLogP6.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 56.14
H-Bond Donors ≤ 50
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

(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574
4-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 5018189
3-[[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846437
(5E)-3-benzyl-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126112037
5-[(2-chlorophenyl)methylidene]-3-cyclopentyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3742421
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 8990753
(5E)-3-benzyl-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5289638
(2S)-2-[2-[(Z)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]propanoic acid
CID 126248247
(5Z)-3-benzyl-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 6519280
3-benzyl-5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 3884790
(5E)-3-benzyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50858734
3-[[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 1235875

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 5290213) is (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccccc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is JEIJASCQJQMZKP-DBSKITMISA-N. The full InChI is InChI=1S/C23H17ClN2OS/c24-20-14-8-7-11-18(20)15-21-22(27)26(16-17-9-3-1-4-10-17)23(28-21)25-19-12-5-2-6-13-19/h1-15H,16H2/b21-15+,25-23-.
What are the key properties of (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 404.92 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5290213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).