(5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C18H16N2O2S — CID 135461910

IUPAC(5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-16-17(21)20-18(23-16)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21)/b16-11-
InChIKeySQIZTXJHAKRNIQ-WJDWOHSUSA-N
MW324.41 g/mol
LogP3.46
Rot. Bonds4

About (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135461910) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135461910
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-16-17(21)20-18(23-16)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21)/b16-11-
InChIKeySQIZTXJHAKRNIQ-WJDWOHSUSA-N
XLogP3.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135461910) is (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)cc1.
What is the InChIKey of (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is SQIZTXJHAKRNIQ-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-16-17(21)20-18(23-16)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20,21)/b16-11-.
What are the key properties of (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135461910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).