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

C21H14Cl2N2O2S — CID 135844429

IUPAC(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1
InChIInChI=1S/C21H14Cl2N2O2S/c1-12-4-2-3-5-17(12)24-21-25-20(26)19(28-21)11-14-7-9-18(27-14)15-10-13(22)6-8-16(15)23/h2-11H,1H3,(H,24,25,26)/b19-11+
InChIKeyASBWLTMDCBWAMJ-YBFXNURJSA-N
MW429.33 g/mol
LogP6.45
Rot. Bonds3

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

(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135844429) has the molecular formula C21H14Cl2N2O2S and a molecular weight of 429.33 g/mol. Its IUPAC name is (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135844429
Molecular FormulaC21H14Cl2N2O2S
Molecular Weight429.33 g/mol
Exact Mass428.02
IUPAC Name(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1
InChIInChI=1S/C21H14Cl2N2O2S/c1-12-4-2-3-5-17(12)24-21-25-20(26)19(28-21)11-14-7-9-18(27-14)15-10-13(22)6-8-16(15)23/h2-11H,1H3,(H,24,25,26)/b19-11+
InChIKeyASBWLTMDCBWAMJ-YBFXNURJSA-N
XLogP6.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 56.45
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

2-[[5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135483014
methyl 2-[[(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834781
2-(4-chlorophenyl)imino-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487116
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137162292
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135487130
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135487056
2-[5-[(Z)-[2-(4-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137140580
2-[5-[(Z)-[2-(5-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137118209
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135642563
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-(2-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135507844
4-chloro-3-[5-[(Z)-[2-(3-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137020475
(5Z)-5-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137089123

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135844429) is (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1.
What is the InChIKey of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ASBWLTMDCBWAMJ-YBFXNURJSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2S/c1-12-4-2-3-5-17(12)24-21-25-20(26)19(28-21)11-14-7-9-18(27-14)15-10-13(22)6-8-16(15)23/h2-11H,1H3,(H,24,25,26)/b19-11+.
What are the key properties of (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 429.33 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135844429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).