3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine

C5H7FN4OS — CID 123735296

IUPAC3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCC(=NOCF)c1nsc(N)n1
InChIInChI=1S/C5H7FN4OS/c1-3(9-11-2-6)4-8-5(7)12-10-4/h2H2,1H3,(H2,7,8,10)
InChIKeyAXUBWSXYMHKXRA-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.79
Rot. Bonds3

About 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine

3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (PubChem CID 123735296) has the molecular formula C5H7FN4OS and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
PubChem CID123735296
Molecular FormulaC5H7FN4OS
Molecular Weight190.20 g/mol
Exact Mass190.03
IUPAC Name3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCC(=NOCF)c1nsc(N)n1
InChIInChI=1S/C5H7FN4OS/c1-3(9-11-2-6)4-8-5(7)12-10-4/h2H2,1H3,(H2,7,8,10)
InChIKeyAXUBWSXYMHKXRA-UHFFFAOYSA-N
XLogP0.79
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(3E)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 14620477
methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)ethanimidate
CID 15651654
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde
CID 20076596
(3E)-5-amino-N-(2,2-difluoroethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 21746233
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde
CID 53874543
5-amino-N-(2,2-difluoroethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 54310749
5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 54358293
(3Z)-5-amino-N-(fluoromethoxy)-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 88147021
3-[(E)-N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 88903048
(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetaldehyde
CID 173353544
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
(3E)-5-amino-N-ethoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 13069122

Frequently Asked Questions

What is the IUPAC name of 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (CID 123735296) is 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is CC(=NOCF)c1nsc(N)n1.
What is the InChIKey of 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is AXUBWSXYMHKXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4OS/c1-3(9-11-2-6)4-8-5(7)12-10-4/h2H2,1H3,(H2,7,8,10).
What are the key properties of 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 190.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(fluoromethoxy)-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 123735296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).