3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

C5H9N3S — CID 55287031

IUPAC3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC)n1
InChIInChI=1S/C5H9N3S/c1-3-4-7-5(6-2)9-8-4/h3H2,1-2H3,(H,6,7,8)
InChIKeyPDBNOTVWMAXMCD-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.14
Rot. Bonds2

About 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 55287031) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID55287031
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC)n1
InChIInChI=1S/C5H9N3S/c1-3-4-7-5(6-2)9-8-4/h3H2,1-2H3,(H,6,7,8)
InChIKeyPDBNOTVWMAXMCD-UHFFFAOYSA-N
XLogP1.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 55287031) is 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC)n1.
What is the InChIKey of 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PDBNOTVWMAXMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-4-7-5(6-2)9-8-4/h3H2,1-2H3,(H,6,7,8).
What are the key properties of 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 143.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 55287031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).