(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C28H21ClN2O2S — CID 21207022

IUPAC(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H21ClN2O2S/c29-23-13-7-12-22(16-23)25-15-14-24(33-25)17-26-27(32)31(19-21-10-5-2-6-11-21)28(34-26)30-18-20-8-3-1-4-9-20/h1-17H,18-19H2/b26-17-,30-28-
InChIKeyJSYRETFIPQYAIP-DUPRQXJUSA-N
MW485.01 g/mol
LogP7.27
Rot. Bonds6

About (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 21207022) has the molecular formula C28H21ClN2O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID21207022
Molecular FormulaC28H21ClN2O2S
Molecular Weight485.01 g/mol
Exact Mass484.10
IUPAC Name(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C28H21ClN2O2S/c29-23-13-7-12-22(16-23)25-15-14-24(33-25)17-26-27(32)31(19-21-10-5-2-6-11-21)28(34-26)30-18-20-8-3-1-4-9-20/h1-17H,18-19H2/b26-17-,30-28-
InChIKeyJSYRETFIPQYAIP-DUPRQXJUSA-N
XLogP7.27
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 57.27
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

ethyl 4-[5-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 17389054
3-benzyl-2-benzylimino-5-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1210495
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2185982
(5Z)-3-benzyl-2-benzylimino-5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 21207028
(5Z)-3-benzyl-2-benzylimino-5-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 21209512
4-[5-[[3-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135187634
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one
CID 135024367
(5E)-3-benzyl-2-benzylimino-5-[[5-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126282572
(5Z)-3-benzyl-2-benzylimino-5-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126084072
(5Z)-3-[(3-bromophenyl)methyl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126162836
ethyl 3-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 126163505
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1498484

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 21207022) is (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is JSYRETFIPQYAIP-DUPRQXJUSA-N. The full InChI is InChI=1S/C28H21ClN2O2S/c29-23-13-7-12-22(16-23)25-15-14-24(33-25)17-26-27(32)31(19-21-10-5-2-6-11-21)28(34-26)30-18-20-8-3-1-4-9-20/h1-17H,18-19H2/b26-17-,30-28-.
What are the key properties of (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 485.01 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 21207022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).