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

C15H13N3O2S — CID 135439646

IUPAC(2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccco2)SC1Cc1ccccc1
InChIInChI=1S/C15H13N3O2S/c19-14-13(9-11-5-2-1-3-6-11)21-15(17-14)18-16-10-12-7-4-8-20-12/h1-8,10,13H,9H2,(H,17,18,19)/b16-10+
InChIKeyBJMSPELDKZUYRY-MHWRWJLKSA-N
MW299.36 g/mol
LogP2.44
Rot. Bonds4

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

(2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135439646) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135439646
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccco2)SC1Cc1ccccc1
InChIInChI=1S/C15H13N3O2S/c19-14-13(9-11-5-2-1-3-6-11)21-15(17-14)18-16-10-12-7-4-8-20-12/h1-8,10,13H,9H2,(H,17,18,19)/b16-10+
InChIKeyBJMSPELDKZUYRY-MHWRWJLKSA-N
XLogP2.44
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
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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Related Compounds

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 6887521
3-Benzyl-5-ethyl-2-{[1-furan-2-yl-meth-(E)-ylidene]-hydrazono}-thiazolidin-4-one
CID 16412047
3-Benzyl-2-{[1-furan-2-yl-meth-(E)-ylidene]-hydrazono}-5-methyl-thiazolidin-4-one
CID 17572490
(2E)-5-ethyl-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 17572713
(2E)-5-(4-fluorobenzyl)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135472740
2-(Furan-2-ylmethylene-hydrazono)-5-(3-methyl-benzyl)-thiazolidin-4-one
CID 135455122
3-Allyl-5-(4-fluoro-benzyl)-2-(furan-2-ylmethylene-hydrazono)-thiazolidin-4-one
CID 5761570
(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6885440
(2E)-5-ethyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 16412688
(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 17572608
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 17572726
3-Allyl-5-(4-bromo-benzyl)-2-(furan-2-ylmethylene-hydrazono)-thiazolidin-4-one
CID 9586084

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135439646) is (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C/c2ccco2)SC1Cc1ccccc1.
What is the InChIKey of (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BJMSPELDKZUYRY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14-13(9-11-5-2-1-3-6-11)21-15(17-14)18-16-10-12-7-4-8-20-12/h1-8,10,13H,9H2,(H,17,18,19)/b16-10+.
What are the key properties of (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 299.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-benzyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135439646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).