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

C6H7FN4O3S — CID 15651655

IUPACmethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
SMILESCOC(=O)/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C6H7FN4O3S/c1-13-5(12)3(10-14-2-7)4-9-6(8)15-11-4/h2H2,1H3,(H2,8,9,11)/b10-3-
InChIKeyPYBACJDAVZOHPT-KMKOMSMNSA-N
MW234.21 g/mol
LogP-0.06
Rot. Bonds4

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

methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate (PubChem CID 15651655) has the molecular formula C6H7FN4O3S and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
PubChem CID15651655
Molecular FormulaC6H7FN4O3S
Molecular Weight234.21 g/mol
Exact Mass234.02
IUPAC Namemethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
SMILESCOC(=O)/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C6H7FN4O3S/c1-13-5(12)3(10-14-2-7)4-9-6(8)15-11-4/h2H2,1H3,(H2,8,9,11)/b10-3-
InChIKeyPYBACJDAVZOHPT-KMKOMSMNSA-N
XLogP-0.06
TPSA99.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
The IUPAC name of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate (CID 15651655) is methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate.
What is the SMILES notation for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
The canonical SMILES for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate is COC(=O)/C(=N\OCF)c1nsc(N)n1.
What is the InChIKey of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
The InChIKey is PYBACJDAVZOHPT-KMKOMSMNSA-N. The full InChI is InChI=1S/C6H7FN4O3S/c1-13-5(12)3(10-14-2-7)4-9-6(8)15-11-4/h2H2,1H3,(H2,8,9,11)/b10-3-.
What are the key properties of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate?
methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate has a molecular weight of 234.21 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate is sourced from PubChem (CID 15651655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).