(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C22H24N2O3S — CID 9486897

IUPAC(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2/S/C(=N\c3ccccc3C)N(CC)C2=O)ccc1OC
InChIInChI=1S/C22H24N2O3S/c1-5-24-21(25)20(28-22(24)23-17-10-8-7-9-15(17)3)14-16-11-12-18(26-4)19(13-16)27-6-2/h7-14H,5-6H2,1-4H3/b20-14+,23-22-
InChIKeyXXLSEFXYLSCVBA-QNQNADBQSA-N
MW396.51 g/mol
LogP5.03
Rot. Bonds6

About (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 9486897) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID9486897
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2/S/C(=N\c3ccccc3C)N(CC)C2=O)ccc1OC
InChIInChI=1S/C22H24N2O3S/c1-5-24-21(25)20(28-22(24)23-17-10-8-7-9-15(17)3)14-16-11-12-18(26-4)19(13-16)27-6-2/h7-14H,5-6H2,1-4H3/b20-14+,23-22-
InChIKeyXXLSEFXYLSCVBA-QNQNADBQSA-N
XLogP5.03
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.03
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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Related Compounds

(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486964
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486781
2-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433511
(5E)-5-[(4-bromophenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486949
(5E)-3-ethyl-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9486958
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126245675
(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556773
(5Z)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1301704
(5E)-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484734
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126336502
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 18843286
(5E)-2-(3,4-dimethylphenyl)imino-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8990630

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 9486897) is (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is CCOc1cc(/C=C2/S/C(=N\c3ccccc3C)N(CC)C2=O)ccc1OC.
What is the InChIKey of (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is XXLSEFXYLSCVBA-QNQNADBQSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-5-24-21(25)20(28-22(24)23-17-10-8-7-9-15(17)3)14-16-11-12-18(26-4)19(13-16)27-6-2/h7-14H,5-6H2,1-4H3/b20-14+,23-22-.
What are the key properties of (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 396.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).