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

C17H11ClF2N2OS — CID 9486023

IUPAC(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C17H11ClF2N2OS/c1-22-16(23)15(8-10-2-4-11(18)5-3-10)24-17(22)21-14-7-6-12(19)9-13(14)20/h2-9H,1H3/b15-8+,21-17+
InChIKeyZRKYDXVCKYSSCX-HZWCKOPCSA-N
MW364.80 g/mol
LogP4.85
Rot. Bonds2

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

(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9486023) has the molecular formula C17H11ClF2N2OS and a molecular weight of 364.80 g/mol. Its IUPAC name is (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID9486023
Molecular FormulaC17H11ClF2N2OS
Molecular Weight364.80 g/mol
Exact Mass364.02
IUPAC Name(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C17H11ClF2N2OS/c1-22-16(23)15(8-10-2-4-11(18)5-3-10)24-17(22)21-14-7-6-12(19)9-13(14)20/h2-9H,1H3/b15-8+,21-17+
InChIKeyZRKYDXVCKYSSCX-HZWCKOPCSA-N
XLogP4.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-(2,4-difluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485982
(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556162
2-[4-[(E)-[2-(2,4-difluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9486068
(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 9486062
(5E)-2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485896
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843212
(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486108
(5E)-2-(2,4-difluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486012
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486645
(5E)-2-(4-fluorophenyl)imino-3-methyl-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485861
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843211
(5E)-2-(2,4-difluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486139

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 9486023) is (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1F.
What is the InChIKey of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZRKYDXVCKYSSCX-HZWCKOPCSA-N. The full InChI is InChI=1S/C17H11ClF2N2OS/c1-22-16(23)15(8-10-2-4-11(18)5-3-10)24-17(22)21-14-7-6-12(19)9-13(14)20/h2-9H,1H3/b15-8+,21-17+.
What are the key properties of (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 364.80 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).