1-(5-ethylthiadiazol-4-yl)ethanimine

C6H9N3S — CID 130291735

IUPAC1-(5-ethylthiadiazol-4-yl)ethanimine
SMILES[H]/N=C(\C)c1nnsc1CC
InChIInChI=1S/C6H9N3S/c1-3-5-6(4(2)7)8-9-10-5/h7H,3H2,1-2H3/b7-4+
InChIKeyKNHOGZOXOCALKL-QPJJXVBHSA-N
MW155.23 g/mol
LogP1.49
Rot. Bonds2

About 1-(5-ethylthiadiazol-4-yl)ethanimine

1-(5-ethylthiadiazol-4-yl)ethanimine (PubChem CID 130291735) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1-(5-ethylthiadiazol-4-yl)ethanimine.

Molecular Properties

Compound Name1-(5-ethylthiadiazol-4-yl)ethanimine
PubChem CID130291735
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1-(5-ethylthiadiazol-4-yl)ethanimine
SMILES[H]/N=C(\C)c1nnsc1CC
InChIInChI=1S/C6H9N3S/c1-3-5-6(4(2)7)8-9-10-5/h7H,3H2,1-2H3/b7-4+
InChIKeyKNHOGZOXOCALKL-QPJJXVBHSA-N
XLogP1.49
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiadiazol-4-yl)ethanimine?
The IUPAC name of 1-(5-ethylthiadiazol-4-yl)ethanimine (CID 130291735) is 1-(5-ethylthiadiazol-4-yl)ethanimine.
What is the SMILES notation for 1-(5-ethylthiadiazol-4-yl)ethanimine?
The canonical SMILES for 1-(5-ethylthiadiazol-4-yl)ethanimine is [H]/N=C(\C)c1nnsc1CC.
What is the InChIKey of 1-(5-ethylthiadiazol-4-yl)ethanimine?
The InChIKey is KNHOGZOXOCALKL-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H9N3S/c1-3-5-6(4(2)7)8-9-10-5/h7H,3H2,1-2H3/b7-4+.
What are the key properties of 1-(5-ethylthiadiazol-4-yl)ethanimine?
1-(5-ethylthiadiazol-4-yl)ethanimine has a molecular weight of 155.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiadiazol-4-yl)ethanimine is sourced from PubChem (CID 130291735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).