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

C23H20N2O3S — CID 134134877

IUPAC(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C23H20N2O3S/c1-2-27-19-12-10-17(11-13-19)15-21-22(26)25(16-20-9-6-14-28-20)23(29-21)24-18-7-4-3-5-8-18/h3-15H,2,16H2,1H3/b21-15-,24-23-
InChIKeyAJVDONLNCLCPPX-YACCPEJUSA-N
MW404.49 g/mol
LogP5.48
Rot. Bonds6

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

(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 134134877) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID134134877
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C23H20N2O3S/c1-2-27-19-12-10-17(11-13-19)15-21-22(26)25(16-20-9-6-14-28-20)23(29-21)24-18-7-4-3-5-8-18/h3-15H,2,16H2,1H3/b21-15-,24-23-
InChIKeyAJVDONLNCLCPPX-YACCPEJUSA-N
XLogP5.48
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.48
H-Bond Donors ≤ 50
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-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 134134877) is (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AJVDONLNCLCPPX-YACCPEJUSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-2-27-19-12-10-17(11-13-19)15-21-22(26)25(16-20-9-6-14-28-20)23(29-21)24-18-7-4-3-5-8-18/h3-15H,2,16H2,1H3/b21-15-,24-23-.
What are the key properties of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 404.49 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 134134877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).