(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C18H16N2O3S — CID 135529557

IUPAC(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c1OC
InChIInChI=1S/C18H16N2O3S/c1-22-14-10-6-7-12(16(14)23-2)11-15-17(21)20-18(24-15)19-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20,21)/b15-11-
InChIKeyTYKQZEBWASXTHH-PTNGSMBKSA-N
MW340.40 g/mol
LogP3.60
Rot. Bonds4

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

(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135529557) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135529557
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c1OC
InChIInChI=1S/C18H16N2O3S/c1-22-14-10-6-7-12(16(14)23-2)11-15-17(21)20-18(24-15)19-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20,21)/b15-11-
InChIKeyTYKQZEBWASXTHH-PTNGSMBKSA-N
XLogP3.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135529557) is (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COc1cccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c1OC.
What is the InChIKey of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is TYKQZEBWASXTHH-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-10-6-7-12(16(14)23-2)11-15-17(21)20-18(24-15)19-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20,21)/b15-11-.
What are the key properties of (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).