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

C11H11N3O2S — CID 90675482

IUPAC(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N\N=C\c1ccco1
InChIInChI=1S/C11H11N3O2S/c1-2-5-14-10(15)8-17-11(14)13-12-7-9-4-3-6-16-9/h2-4,6-7H,1,5,8H2/b12-7+,13-11-
InChIKeyMVYQEGXYWTWLEQ-MHUJIAIDSA-N
MW249.30 g/mol
LogP1.73
Rot. Bonds4

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

(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 90675482) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID90675482
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N\N=C\c1ccco1
InChIInChI=1S/C11H11N3O2S/c1-2-5-14-10(15)8-17-11(14)13-12-7-9-4-3-6-16-9/h2-4,6-7H,1,5,8H2/b12-7+,13-11-
InChIKeyMVYQEGXYWTWLEQ-MHUJIAIDSA-N
XLogP1.73
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Benzyl-2-{[1-furan-2-yl-meth-(E)-ylidene]-hydrazono}-5-methyl-thiazolidin-4-one
CID 17572490
5-Methyl-2-furaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135472705
2-(2-furylmethylene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 773189
methyl [2-[2-(2-furylmethylene)hydrazino]-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
CID 135455167
(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6885440
(E)-methyl 2-(2-((E)-2-(furan-2-ylmethylene)hydrazinyl)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135402708
5-Ethyl-2-(furfurylidenehydrazino)-2-thiazolin-4-one
CID 135401272
(2E)-3-benzyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6245497
(E)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675483
(2E)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100917
2-Furaldehyde (5-butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135401460
2-Furaldehyde (5-isopropyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135492256

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 90675482) is (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CS/C1=N\N=C\c1ccco1.
What is the InChIKey of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is MVYQEGXYWTWLEQ-MHUJIAIDSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-5-14-10(15)8-17-11(14)13-12-7-9-4-3-6-16-9/h2-4,6-7H,1,5,8H2/b12-7+,13-11-.
What are the key properties of (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 249.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 90675482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).