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

C22H19BrN2O2S — CID 6115654

IUPAC(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
SMILESCCc1ccc(NC2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1
InChIInChI=1S/C22H19BrN2O2S/c1-2-14-3-9-17(10-4-14)24-22-25-21(26)20(28-22)13-18-11-12-19(27-18)15-5-7-16(23)8-6-15/h3-13,22,24H,2H2,1H3,(H,25,26)/b20-13+
InChIKeyGCAXAOKVTQVTJZ-DEDYPNTBSA-N
MW455.38 g/mol
LogP5.87
Rot. Bonds5

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

(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one (PubChem CID 6115654) has the molecular formula C22H19BrN2O2S and a molecular weight of 455.38 g/mol. Its IUPAC name is (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
PubChem CID6115654
Molecular FormulaC22H19BrN2O2S
Molecular Weight455.38 g/mol
Exact Mass454.04
IUPAC Name(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
SMILESCCc1ccc(NC2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1
InChIInChI=1S/C22H19BrN2O2S/c1-2-14-3-9-17(10-4-14)24-22-25-21(26)20(28-22)13-18-11-12-19(27-18)15-5-7-16(23)8-6-15/h3-13,22,24H,2H2,1H3,(H,25,26)/b20-13+
InChIKeyGCAXAOKVTQVTJZ-DEDYPNTBSA-N
XLogP5.87
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.38
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,5Z)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 26987431
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3920866
(2S,5Z)-5-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 26987407
2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 6166551
N-(4-bromophenyl)-2-[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126165977
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844486
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-1H-pyrazol-5-one
CID 3582505
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135487160
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(4-butylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136423
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1,3-diethyl-2-sulfanylideneimidazolidin-4-one
CID 1334526
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4645843

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one (CID 6115654) is (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one is CCc1ccc(NC2NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1.
What is the InChIKey of (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
The InChIKey is GCAXAOKVTQVTJZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C22H19BrN2O2S/c1-2-14-3-9-17(10-4-14)24-22-25-21(26)20(28-22)13-18-11-12-19(27-18)15-5-7-16(23)8-6-15/h3-13,22,24H,2H2,1H3,(H,25,26)/b20-13+.
What are the key properties of (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one?
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one has a molecular weight of 455.38 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6115654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).