(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C15H13N3O2S — CID 6865395

IUPAC(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C15H13N3O2S/c19-14-11-21-15(18(14)10-13-7-4-8-20-13)17-16-9-12-5-2-1-3-6-12/h1-9H,10-11H2/b16-9+,17-15+
InChIKeyVHPJEJVREPFYTP-HXWFAXSVSA-N
MW299.36 g/mol
LogP2.75
Rot. Bonds4

About (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 6865395) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID6865395
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C15H13N3O2S/c19-14-11-21-15(18(14)10-13-7-4-8-20-13)17-16-9-12-5-2-1-3-6-12/h1-9H,10-11H2/b16-9+,17-15+
InChIKeyVHPJEJVREPFYTP-HXWFAXSVSA-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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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)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 17572747
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(furan-2-yl)methanone
CID 3646578
[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
CID 4088356
Furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4687568
2,5-Dimethoxybenzaldehyde [3-(2-furylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 5350879
3-Allyl-5-(4-fluoro-benzyl)-2-(furan-2-ylmethylene-hydrazono)-thiazolidin-4-one
CID 5761570
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(prop-2-en-1-yl)benzamide
CID 6488406
2-fluoro-N-[(E)-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 6860871

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 6865395) is (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccco1.
What is the InChIKey of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is VHPJEJVREPFYTP-HXWFAXSVSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14-11-21-15(18(14)10-13-7-4-8-20-13)17-16-9-12-5-2-1-3-6-12/h1-9H,10-11H2/b16-9+,17-15+.
What are the key properties of (2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?
(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-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)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6865395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).