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

C4H7N3S — CID 2756430

IUPAC3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N)n1
InChIInChI=1S/C4H7N3S/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H2,5,6,7)
InChIKeyVMSZFGJMDPANBP-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.68
Rot. Bonds1

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

3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 2756430) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID2756430
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N)n1
InChIInChI=1S/C4H7N3S/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H2,5,6,7)
InChIKeyVMSZFGJMDPANBP-UHFFFAOYSA-N
XLogP0.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-1,2,4-thiadiazol-5-amine (CID 2756430) is 3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N)n1.
What is the InChIKey of 3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VMSZFGJMDPANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H2,5,6,7).
What are the key properties of 3-ethyl-1,2,4-thiadiazol-5-amine?
3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 129.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 2756430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).