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

C15H13N3O2S — CID 6245497

IUPAC(2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccco2)N1Cc1ccccc1
InChIInChI=1S/C15H13N3O2S/c19-14-11-21-15(17-16-9-13-7-4-8-20-13)18(14)10-12-5-2-1-3-6-12/h1-9H,10-11H2/b16-9-,17-15+
InChIKeyPSZOKEGTYBMGJR-KKWCCJFHSA-N
MW299.36 g/mol
LogP2.75
Rot. Bonds4

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

(2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6245497) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6245497
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccco2)N1Cc1ccccc1
InChIInChI=1S/C15H13N3O2S/c19-14-11-21-15(17-16-9-13-7-4-8-20-13)18(14)10-12-5-2-1-3-6-12/h1-9H,10-11H2/b16-9-,17-15+
InChIKeyPSZOKEGTYBMGJR-KKWCCJFHSA-N
XLogP2.75
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.75
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)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6245497) is (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C\c2ccco2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PSZOKEGTYBMGJR-KKWCCJFHSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14-11-21-15(17-16-9-13-7-4-8-20-13)18(14)10-12-5-2-1-3-6-12/h1-9H,10-11H2/b16-9-,17-15+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 299.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6245497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).