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

C20H10BrCl3N2O2S — CID 137051105

IUPAC(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C20H10BrCl3N2O2S/c21-12-6-4-10(8-14(12)23)16-7-5-11(28-16)9-17-19(27)26-20(29-17)25-15-3-1-2-13(22)18(15)24/h1-9H,(H,25,26,27)/b17-9+
InChIKeyWXOJIFSGNMGVQN-RQZCQDPDSA-N
MW528.64 g/mol
LogP7.56
Rot. Bonds3

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

(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137051105) has the molecular formula C20H10BrCl3N2O2S and a molecular weight of 528.64 g/mol. Its IUPAC name is (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137051105
Molecular FormulaC20H10BrCl3N2O2S
Molecular Weight528.64 g/mol
Exact Mass525.87
IUPAC Name(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C20H10BrCl3N2O2S/c21-12-6-4-10(8-14(12)23)16-7-5-11(28-16)9-17-19(27)26-20(29-17)25-15-3-1-2-13(22)18(15)24/h1-9H,(H,25,26,27)/b17-9+
InChIKeyWXOJIFSGNMGVQN-RQZCQDPDSA-N
XLogP7.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 57.56
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-(3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135487098
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137044696
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844492
(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137136679
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135444055
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135487171
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135523477
(5Z)-5-[(4-bromo-5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137118323
(5E)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137020134
2-[[(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834489
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135844502
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-(2-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063867

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 137051105) is (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1.
What is the InChIKey of (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is WXOJIFSGNMGVQN-RQZCQDPDSA-N. The full InChI is InChI=1S/C20H10BrCl3N2O2S/c21-12-6-4-10(8-14(12)23)16-7-5-11(28-16)9-17-19(27)26-20(29-17)25-15-3-1-2-13(22)18(15)24/h1-9H,(H,25,26,27)/b17-9+.
What are the key properties of (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 528.64 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137051105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).