4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine

C5H9N3S — CID 131886722

IUPAC4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine
SMILESCCn1cns/c1=N\C
InChIInChI=1S/C5H9N3S/c1-3-8-4-7-9-5(8)6-2/h4H,3H2,1-2H3/b6-5-
InChIKeyKTVDVWDICGKKPZ-WAYWQWQTSA-N
MW143.21 g/mol
LogP0.50
Rot. Bonds1

About 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine

4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine (PubChem CID 131886722) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine
PubChem CID131886722
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine
SMILESCCn1cns/c1=N\C
InChIInChI=1S/C5H9N3S/c1-3-8-4-7-9-5(8)6-2/h4H,3H2,1-2H3/b6-5-
InChIKeyKTVDVWDICGKKPZ-WAYWQWQTSA-N
XLogP0.50
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine (CID 131886722) is 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine is CCn1cns/c1=N\C.
What is the InChIKey of 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine?
The InChIKey is KTVDVWDICGKKPZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-8-4-7-9-5(8)6-2/h4H,3H2,1-2H3/b6-5-.
What are the key properties of 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine?
4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine has a molecular weight of 143.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 131886722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).