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

C12H15N3O2S — CID 135401460

IUPAC(2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C12H15N3O2S/c1-2-3-6-10-11(16)14-12(18-10)15-13-8-9-5-4-7-17-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15,16)/b13-8+
InChIKeyHKFJXVWFHGANRS-MDWZMJQESA-N
MW265.34 g/mol
LogP2.39
Rot. Bonds5

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

(2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135401460) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135401460
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C12H15N3O2S/c1-2-3-6-10-11(16)14-12(18-10)15-13-8-9-5-4-7-17-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15,16)/b13-8+
InChIKeyHKFJXVWFHGANRS-MDWZMJQESA-N
XLogP2.39
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.39
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
methyl [2-[2-(2-furylmethylene)hydrazino]-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
CID 135455167
(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
{(2E)-2-[(2E)-2-(2-furylmethylene)hydrazono]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
CID 135457569
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135439641

Frequently Asked Questions

What is the IUPAC name of (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135401460) is (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCC1S/C(=N/N=C/c2ccco2)NC1=O.
What is the InChIKey of (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HKFJXVWFHGANRS-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-3-6-10-11(16)14-12(18-10)15-13-8-9-5-4-7-17-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,15,16)/b13-8+.
What are the key properties of (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 265.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-butyl-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135401460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).