3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C9H17N3O2S — CID 65268183

IUPAC3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)c1nsc(NCCOC)n1
InChIInChI=1S/C9H17N3O2S/c1-4-14-7(2)8-11-9(15-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyBQFYXVKPHAOXMK-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.69
Rot. Bonds7

About 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268183) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268183
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)c1nsc(NCCOC)n1
InChIInChI=1S/C9H17N3O2S/c1-4-14-7(2)8-11-9(15-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyBQFYXVKPHAOXMK-UHFFFAOYSA-N
XLogP1.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.69
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-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65268183) is 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is CCOC(C)c1nsc(NCCOC)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BQFYXVKPHAOXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-14-7(2)8-11-9(15-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).