(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one

C22H17ClN2O2S — CID 135507844

IUPAC(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1
InChIInChI=1S/C22H17ClN2O2S/c1-2-14-7-3-6-10-18(14)24-22-25-21(26)20(28-22)13-15-11-12-19(27-15)16-8-4-5-9-17(16)23/h3-13H,2H2,1H3,(H,24,25,26)/b20-13+
InChIKeyKUXRZEBFASVOSZ-DEDYPNTBSA-N
MW408.91 g/mol
LogP6.05
Rot. Bonds4

About (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135507844) has the molecular formula C22H17ClN2O2S and a molecular weight of 408.91 g/mol. Its IUPAC name is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135507844
Molecular FormulaC22H17ClN2O2S
Molecular Weight408.91 g/mol
Exact Mass408.07
IUPAC Name(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1
InChIInChI=1S/C22H17ClN2O2S/c1-2-14-7-3-6-10-18(14)24-22-25-21(26)20(28-22)13-15-11-12-19(27-15)16-8-4-5-9-17(16)23/h3-13H,2H2,1H3,(H,24,25,26)/b20-13+
InChIKeyKUXRZEBFASVOSZ-DEDYPNTBSA-N
XLogP6.05
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.91
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135487056
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063867
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135844429
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135523477
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135444055
5-[[(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834584
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135451147
methyl 2-[5-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 137079862
(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844672
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844492
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137166659
2-[[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135483014

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one (CID 135507844) is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one is CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1.
What is the InChIKey of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KUXRZEBFASVOSZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C22H17ClN2O2S/c1-2-14-7-3-6-10-18(14)24-22-25-21(26)20(28-22)13-15-11-12-19(27-15)16-8-4-5-9-17(16)23/h3-13H,2H2,1H3,(H,24,25,26)/b20-13+.
What are the key properties of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 408.91 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135507844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).