(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

C22H16BrFN2O2S — CID 126227013

IUPAC(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C22H16BrFN2O2S/c1-2-26-21(27)20(29-22(26)25-17-8-6-16(24)7-9-17)13-18-10-11-19(28-18)14-4-3-5-15(23)12-14/h3-13H,2H2,1H3/b20-13+,25-22-
InChIKeyGFRLVVWEHCPRGM-HXEHVNBISA-N
MW471.35 g/mol
LogP6.47
Rot. Bonds4

About (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 126227013) has the molecular formula C22H16BrFN2O2S and a molecular weight of 471.35 g/mol. Its IUPAC name is (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID126227013
Molecular FormulaC22H16BrFN2O2S
Molecular Weight471.35 g/mol
Exact Mass470.01
IUPAC Name(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C22H16BrFN2O2S/c1-2-26-21(27)20(29-22(26)25-17-8-6-16(24)7-9-17)13-18-10-11-19(28-18)14-4-3-5-15(23)12-14/h3-13H,2H2,1H3/b20-13+,25-22-
InChIKeyGFRLVVWEHCPRGM-HXEHVNBISA-N
XLogP6.47
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 56.47
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

(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126246683
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126252261
(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126024709
3-[5-[(E)-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 6310826
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842264
(5Z)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126092789
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126244957
5-[5-[(E)-[2-(4-bromo-3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 126027342
(5E)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126237146
3-[[(5E)-3-ethyl-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6208703
(2E,5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842778

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 126227013) is (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S/C1=N\c1ccc(F)cc1.
What is the InChIKey of (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is GFRLVVWEHCPRGM-HXEHVNBISA-N. The full InChI is InChI=1S/C22H16BrFN2O2S/c1-2-26-21(27)20(29-22(26)25-17-8-6-16(24)7-9-17)13-18-10-11-19(28-18)14-4-3-5-15(23)12-14/h3-13H,2H2,1H3/b20-13+,25-22-.
What are the key properties of (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 471.35 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126227013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).