(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

C19H17FN2O3S — CID 9485617

IUPAC(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3F)N(C)C2=O)c(OC)c1
InChIInChI=1S/C19H17FN2O3S/c1-22-18(23)17(10-12-8-9-13(24-2)11-16(12)25-3)26-19(22)21-15-7-5-4-6-14(15)20/h4-11H,1-3H3/b17-10+,21-19-
InChIKeyXCVFIAWQRDDDJE-CTUJGTAOSA-N
MW372.42 g/mol
LogP4.08
Rot. Bonds4

About (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9485617) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID9485617
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3F)N(C)C2=O)c(OC)c1
InChIInChI=1S/C19H17FN2O3S/c1-22-18(23)17(10-12-8-9-13(24-2)11-16(12)25-3)26-19(22)21-15-7-5-4-6-14(15)20/h4-11H,1-3H3/b17-10+,21-19-
InChIKeyXCVFIAWQRDDDJE-CTUJGTAOSA-N
XLogP4.08
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.08
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

3-[[5-[(2,4-dimethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 1229013
(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486227
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 9485668
(5E)-2-(2,4-difluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486012
(5Z)-2-(2,4-difluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485982
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485551
(5E)-2-(2-fluorophenyl)imino-3-methyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485636
5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-3-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 3777351
5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 1233191
ethyl 2-[3-[(E)-[2-(2-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 9485585
(5E)-5-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485560
(5Z)-5-benzylidene-3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 2318333

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 9485617) is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N\c3ccccc3F)N(C)C2=O)c(OC)c1.
What is the InChIKey of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is XCVFIAWQRDDDJE-CTUJGTAOSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-22-18(23)17(10-12-8-9-13(24-2)11-16(12)25-3)26-19(22)21-15-7-5-4-6-14(15)20/h4-11H,1-3H3/b17-10+,21-19-.
What are the key properties of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 372.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9485617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).