ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate

C12H19N3O4S — CID 143717768

IUPACethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\NN(O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C12H19N3O4S/c1-5-18-11(16)10(9-7-6-8-20-9)13-14-15(17)19-12(2,3)4/h6-8,14,17H,5H2,1-4H3/b13-10-
InChIKeyZWLIKEUHUOBUQR-RAXLEYEMSA-N
MW301.37 g/mol
LogP1.94
Rot. Bonds6

About ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate

ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate (PubChem CID 143717768) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate
PubChem CID143717768
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Nameethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\NN(O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C12H19N3O4S/c1-5-18-11(16)10(9-7-6-8-20-9)13-14-15(17)19-12(2,3)4/h6-8,14,17H,5H2,1-4H3/b13-10-
InChIKeyZWLIKEUHUOBUQR-RAXLEYEMSA-N
XLogP1.94
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate
CID 58693852
ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
CID 13255863
ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
CID 13255860
methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate
CID 22628599
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
lithium ethyl 3-methyl-2,4-dioxo-4-thiophen-2-ylbutanoate
CID 24805542
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381
ethyl (E)-3-(1-thiophen-2-ylethenyl)hept-2-enoate
CID 11207797
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate?
The IUPAC name of ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate (CID 143717768) is ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate is CCOC(=O)/C(=N\NN(O)OC(C)(C)C)c1cccs1.
What is the InChIKey of ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate?
The InChIKey is ZWLIKEUHUOBUQR-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-5-18-11(16)10(9-7-6-8-20-9)13-14-15(17)19-12(2,3)4/h6-8,14,17H,5H2,1-4H3/b13-10-.
What are the key properties of ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate?
ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate has a molecular weight of 301.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate is sourced from PubChem (CID 143717768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).