(2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C21H17N3O2S — CID 5340239

IUPAC(2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccccc2)S/C(=N/N=C/c2ccco2)N1c1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-20-19(14-16-8-3-1-4-9-16)27-21(23-22-15-18-12-7-13-26-18)24(20)17-10-5-2-6-11-17/h1-13,15,19H,14H2/b22-15+,23-21+
InChIKeyWWJBBAVZMXDREP-YAPJOUOUSA-N
MW375.45 g/mol
LogP4.36
Rot. Bonds5

About (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 5340239) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID5340239
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name(2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccccc2)S/C(=N/N=C/c2ccco2)N1c1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-20-19(14-16-8-3-1-4-9-16)27-21(23-22-15-18-12-7-13-26-18)24(20)17-10-5-2-6-11-17/h1-13,15,19H,14H2/b22-15+,23-21+
InChIKeyWWJBBAVZMXDREP-YAPJOUOUSA-N
XLogP4.36
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 5340239) is (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1C(Cc2ccccc2)S/C(=N/N=C/c2ccco2)N1c1ccccc1.
What is the InChIKey of (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is WWJBBAVZMXDREP-YAPJOUOUSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-20-19(14-16-8-3-1-4-9-16)27-21(23-22-15-18-12-7-13-26-18)24(20)17-10-5-2-6-11-17/h1-13,15,19H,14H2/b22-15+,23-21+.
What are the key properties of (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 375.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5340239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).