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

C9H9N3O2S — CID 135437539

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C9H9N3O2S/c1-6-8(13)11-9(15-6)12-10-5-7-3-2-4-14-7/h2-6H,1H3,(H,11,12,13)/b10-5+
InChIKeySWYRUTDRRGAEEA-BJMVGYQFSA-N
MW223.26 g/mol
LogP1.22
Rot. Bonds2

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

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135437539) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135437539
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C9H9N3O2S/c1-6-8(13)11-9(15-6)12-10-5-7-3-2-4-14-7/h2-6H,1H3,(H,11,12,13)/b10-5+
InChIKeySWYRUTDRRGAEEA-BJMVGYQFSA-N
XLogP1.22
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.22
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)-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
5-Methyl-2-furaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135472705
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
methyl [2-[2-(2-furylmethylene)hydrazino]-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
CID 135455167
CID 137630114
CID 137630114
(E)-methyl 2-(2-((E)-2-(furan-2-ylmethylene)hydrazinyl)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135402708
5-Methyl-1,3-thiazolidine-2,4-dione 2-{[1-(2-furyl)ethylidene]hydrazone}
CID 135438835
(2Z)-5-benzyl-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-4-ol
CID 135439646
(E)-2-((E)-(furan-2-ylmethylene)hydrazono)-5-(4-methylbenzyl)thiazolidin-4-one
CID 135472852
5-Ethyl-2-(furfurylidenehydrazino)-2-thiazolin-4-one
CID 135401272
(2E)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100917

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135437539) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N/N=C/c2ccco2)NC1=O.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is SWYRUTDRRGAEEA-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6-8(13)11-9(15-6)12-10-5-7-3-2-4-14-7/h2-6H,1H3,(H,11,12,13)/b10-5+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 223.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135437539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).