(5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C21H16N2O2S — CID 135777954

IUPAC(5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Cc2ccccc2)S/C1=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H16N2O2S/c24-20-19(26-21(23-20)22-14-15-7-3-1-4-8-15)13-17-11-12-18(25-17)16-9-5-2-6-10-16/h1-13H,14H2,(H,22,23,24)/b19-13+
InChIKeyQZLRMSBKJOPLPJ-CPNJWEJPSA-N
MW360.44 g/mol
LogP4.71
Rot. Bonds4

About (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135777954) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135777954
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name(5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/Cc2ccccc2)S/C1=C/c1ccc(-c2ccccc2)o1
InChIInChI=1S/C21H16N2O2S/c24-20-19(26-21(23-20)22-14-15-7-3-1-4-8-15)13-17-11-12-18(25-17)16-9-5-2-6-10-16/h1-13H,14H2,(H,22,23,24)/b19-13+
InChIKeyQZLRMSBKJOPLPJ-CPNJWEJPSA-N
XLogP4.71
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 135777954) is (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/Cc2ccccc2)S/C1=C/c1ccc(-c2ccccc2)o1.
What is the InChIKey of (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QZLRMSBKJOPLPJ-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-20-19(26-21(23-20)22-14-15-7-3-1-4-8-15)13-17-11-12-18(25-17)16-9-5-2-6-10-16/h1-13H,14H2,(H,22,23,24)/b19-13+.
What are the key properties of (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-benzylimino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135777954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).