methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate

C7H7FN4O4S — CID 54364803

IUPACmethyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate
SMILESCOC(=O)C(=NOCF)c1nsc(NC=O)n1
InChIInChI=1S/C7H7FN4O4S/c1-15-6(14)4(11-16-2-8)5-10-7(9-3-13)17-12-5/h3H,2H2,1H3,(H,9,10,12,13)
InChIKeyUPASAAMMWBDRRX-UHFFFAOYSA-N
MW262.22 g/mol
LogP-0.07
Rot. Bonds6

About methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate

methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate (PubChem CID 54364803) has the molecular formula C7H7FN4O4S and a molecular weight of 262.22 g/mol. Its IUPAC name is methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate
PubChem CID54364803
Molecular FormulaC7H7FN4O4S
Molecular Weight262.22 g/mol
Exact Mass262.02
IUPAC Namemethyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate
SMILESCOC(=O)C(=NOCF)c1nsc(NC=O)n1
InChIInChI=1S/C7H7FN4O4S/c1-15-6(14)4(11-16-2-8)5-10-7(9-3-13)17-12-5/h3H,2H2,1H3,(H,9,10,12,13)
InChIKeyUPASAAMMWBDRRX-UHFFFAOYSA-N
XLogP-0.07
TPSA102.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate?
The IUPAC name of methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate (CID 54364803) is methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate is COC(=O)C(=NOCF)c1nsc(NC=O)n1.
What is the InChIKey of methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate?
The InChIKey is UPASAAMMWBDRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O4S/c1-15-6(14)4(11-16-2-8)5-10-7(9-3-13)17-12-5/h3H,2H2,1H3,(H,9,10,12,13).
What are the key properties of methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate?
methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate has a molecular weight of 262.22 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate is sourced from PubChem (CID 54364803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).