3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine

C9H17N3O2S — CID 65277235

IUPAC3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOCCOC)n1
InChIInChI=1S/C9H17N3O2S/c1-3-8-11-9(15-12-8)10-4-5-14-7-6-13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyUFFHXAHDOQKZPZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.18
Rot. Bonds8

About 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65277235) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65277235
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOCCOC)n1
InChIInChI=1S/C9H17N3O2S/c1-3-8-11-9(15-12-8)10-4-5-14-7-6-13-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyUFFHXAHDOQKZPZ-UHFFFAOYSA-N
XLogP1.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine (CID 65277235) is 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCOCCOC)n1.
What is the InChIKey of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is UFFHXAHDOQKZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-8-11-9(15-12-8)10-4-5-14-7-6-13-2/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).