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

C6H8FN5O2S — CID 15651654

IUPACmethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate
SMILES[H]/N=C(OC)/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C6H8FN5O2S/c1-13-4(8)3(11-14-2-7)5-10-6(9)15-12-5/h8H,2H2,1H3,(H2,9,10,12)/b8-4-,11-3+
InChIKeyMVTFUYMZQCQUGD-MKGSXZPOSA-N
MW233.23 g/mol
LogP0.39
Rot. Bonds4

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

methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate (PubChem CID 15651654) has the molecular formula C6H8FN5O2S and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate
PubChem CID15651654
Molecular FormulaC6H8FN5O2S
Molecular Weight233.23 g/mol
Exact Mass233.04
IUPAC Namemethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate
SMILES[H]/N=C(OC)/C(=N\OCF)c1nsc(N)n1
InChIInChI=1S/C6H8FN5O2S/c1-13-4(8)3(11-14-2-7)5-10-6(9)15-12-5/h8H,2H2,1H3,(H2,9,10,12)/b8-4-,11-3+
InChIKeyMVTFUYMZQCQUGD-MKGSXZPOSA-N
XLogP0.39
TPSA106.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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)ethanimidate?
The IUPAC name of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate (CID 15651654) is methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate.
What is the SMILES notation for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate?
The canonical SMILES for methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate is [H]/N=C(OC)/C(=N\OCF)c1nsc(N)n1.
What is the InChIKey of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate?
The InChIKey is MVTFUYMZQCQUGD-MKGSXZPOSA-N. The full InChI is InChI=1S/C6H8FN5O2S/c1-13-4(8)3(11-14-2-7)5-10-6(9)15-12-5/h8H,2H2,1H3,(H2,9,10,12)/b8-4-,11-3+.
What are the key properties of methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate?
methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate has a molecular weight of 233.23 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 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)ethanimidate is sourced from PubChem (CID 15651654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).