ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate

C7H9FN4O3S — CID 14477682

IUPACethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
SMILESCCOC(=O)/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C7H9FN4O3S/c1-2-14-6(13)4(11-15-3-8)5-10-7(9)16-12-5/h2-3H2,1H3,(H2,9,10,12)/b11-4-
InChIKeyBGQLMEZSSCABOI-WCIBSUBMSA-N
MW248.24 g/mol
LogP0.33
Rot. Bonds5

About ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate

ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate (PubChem CID 14477682) has the molecular formula C7H9FN4O3S and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
PubChem CID14477682
Molecular FormulaC7H9FN4O3S
Molecular Weight248.24 g/mol
Exact Mass248.04
IUPAC Nameethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
SMILESCCOC(=O)/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C7H9FN4O3S/c1-2-14-6(13)4(11-15-3-8)5-10-7(9)16-12-5/h2-3H2,1H3,(H2,9,10,12)/b11-4-
InChIKeyBGQLMEZSSCABOI-WCIBSUBMSA-N
XLogP0.33
TPSA99.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopropyloxyiminoacetate
CID 22156252
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetic acid;hydrate
CID 131719032
2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
CID 54419439
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
CID 91057272
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2-difluoroethoxyimino)acetic acid
CID 54451404
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(4-ethoxy-4-oxobutan-2-yl)oxyiminoacetic acid
CID 88765407
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate
CID 91610042
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-prop-2-ynoxyiminoacetic acid
CID 54294179
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetate
CID 59541610
methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate
CID 136950450
ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
CID 173275185

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
The IUPAC name of ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate (CID 14477682) is ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate.
What is the SMILES notation for ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
The canonical SMILES for ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate is CCOC(=O)/C(=N\OCF)c1nsc(N)n1.
What is the InChIKey of ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
The InChIKey is BGQLMEZSSCABOI-WCIBSUBMSA-N. The full InChI is InChI=1S/C7H9FN4O3S/c1-2-14-6(13)4(11-15-3-8)5-10-7(9)16-12-5/h2-3H2,1H3,(H2,9,10,12)/b11-4-.
What are the key properties of ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate has a molecular weight of 248.24 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate is sourced from PubChem (CID 14477682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).