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

C5H9N3S — CID 138705078

IUPAC5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine
SMILESCCc1nc(NC)ns1
InChIInChI=1S/C5H9N3S/c1-3-4-7-5(6-2)8-9-4/h3H2,1-2H3,(H,6,8)
InChIKeyPGVNYLNLSFEZND-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.14
Rot. Bonds2

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

5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine (PubChem CID 138705078) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine
PubChem CID138705078
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine
SMILESCCc1nc(NC)ns1
InChIInChI=1S/C5H9N3S/c1-3-4-7-5(6-2)8-9-4/h3H2,1-2H3,(H,6,8)
InChIKeyPGVNYLNLSFEZND-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 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine (CID 138705078) is 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine is CCc1nc(NC)ns1.
What is the InChIKey of 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine?
The InChIKey is PGVNYLNLSFEZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-4-7-5(6-2)8-9-4/h3H2,1-2H3,(H,6,8).
What are the key properties of 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine?
5-ethyl-N-methyl-1,2,4-thiadiazol-3-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 5-ethyl-N-methyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 138705078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).