methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate

C7H9FN4O3S — CID 54570889

IUPACmethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate
SMILESCOC(=O)C(=NOCCF)c1nsc(N)n1
InChIInChI=1S/C7H9FN4O3S/c1-14-6(13)4(11-15-3-2-8)5-10-7(9)16-12-5/h2-3H2,1H3,(H2,9,10,12)
InChIKeyZXEGWBZUUVXBKD-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.02
Rot. Bonds5

About methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate

methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate (PubChem CID 54570889) has the molecular formula C7H9FN4O3S and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate
PubChem CID54570889
Molecular FormulaC7H9FN4O3S
Molecular Weight248.24 g/mol
Exact Mass248.04
IUPAC Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate
SMILESCOC(=O)C(=NOCCF)c1nsc(N)n1
InChIInChI=1S/C7H9FN4O3S/c1-14-6(13)4(11-15-3-2-8)5-10-7(9)16-12-5/h2-3H2,1H3,(H2,9,10,12)
InChIKeyZXEGWBZUUVXBKD-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate?
The IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate (CID 54570889) is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate.
What is the SMILES notation for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate?
The canonical SMILES for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate is COC(=O)C(=NOCCF)c1nsc(N)n1.
What is the InChIKey of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate?
The InChIKey is ZXEGWBZUUVXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O3S/c1-14-6(13)4(11-15-3-2-8)5-10-7(9)16-12-5/h2-3H2,1H3,(H2,9,10,12).
What are the key properties of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate?
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate has a molecular weight of 248.24 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate is sourced from PubChem (CID 54570889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).