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

C20H19FN2O2S — CID 126237948

IUPAC(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2S/c1-4-23-19(24)18(12-14-5-10-17(25-3)11-13(14)2)26-20(23)22-16-8-6-15(21)7-9-16/h5-12H,4H2,1-3H3/b18-12+,22-20-
InChIKeyKJRHBVNORKMLHV-FTIPTLOASA-N
MW370.45 g/mol
LogP4.77
Rot. Bonds4

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

(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 126237948) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID126237948
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2S/c1-4-23-19(24)18(12-14-5-10-17(25-3)11-13(14)2)26-20(23)22-16-8-6-15(21)7-9-16/h5-12H,4H2,1-3H3/b18-12+,22-20-
InChIKeyKJRHBVNORKMLHV-FTIPTLOASA-N
XLogP4.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
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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Related Compounds

(5E)-3-ethyl-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126230906
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 126245777
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236270
5-[(2,4-diethoxyphenyl)methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 1233200
(5E)-5-[(3,5-diiodo-4-methoxyphenyl)methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126254940
(5E)-3-ethyl-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126245817
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126253124
(5E)-3-ethyl-5-[(4-methoxy-2-methylphenyl)methylidene]-2-[3-(morpholine-4-carbonyl)phenyl]imino-1,3-thiazolidin-4-one
CID 126177508
(5E)-5-[(5-chloro-2-propoxyphenyl)methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 9485955
3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1233204
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126245675
(5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126237247

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 126237948) is (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(F)cc1.
What is the InChIKey of (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KJRHBVNORKMLHV-FTIPTLOASA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-4-23-19(24)18(12-14-5-10-17(25-3)11-13(14)2)26-20(23)22-16-8-6-15(21)7-9-16/h5-12H,4H2,1-3H3/b18-12+,22-20-.
What are the key properties of (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 370.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 126237948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).