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

C6H10N4OS — CID 89309070

IUPAC3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCCO/N=C(\C)c1nsc(N)n1
InChIInChI=1S/C6H10N4OS/c1-3-11-9-4(2)5-8-6(7)12-10-5/h3H2,1-2H3,(H2,7,8,10)/b9-4+
InChIKeyZOLPDBRDZBDDSF-RUDMXATFSA-N
MW186.24 g/mol
LogP0.88
Rot. Bonds3

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

3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (PubChem CID 89309070) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
PubChem CID89309070
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCCO/N=C(\C)c1nsc(N)n1
InChIInChI=1S/C6H10N4OS/c1-3-11-9-4(2)5-8-6(7)12-10-5/h3H2,1-2H3,(H2,7,8,10)/b9-4+
InChIKeyZOLPDBRDZBDDSF-RUDMXATFSA-N
XLogP0.88
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (CID 89309070) is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is CCO/N=C(\C)c1nsc(N)n1.
What is the InChIKey of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZOLPDBRDZBDDSF-RUDMXATFSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3-11-9-4(2)5-8-6(7)12-10-5/h3H2,1-2H3,(H2,7,8,10)/b9-4+.
What are the key properties of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 186.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 89309070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).