2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol

C8H15N3O2S — CID 65276529

IUPAC2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCCc1nsc(NCCOCCO)n1
InChIInChI=1S/C8H15N3O2S/c1-2-7-10-8(14-11-7)9-3-5-13-6-4-12/h12H,2-6H2,1H3,(H,9,10,11)
InChIKeyWHSADUCJUQNQJK-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.52
Rot. Bonds7

About 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol

2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 65276529) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
PubChem CID65276529
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCCc1nsc(NCCOCCO)n1
InChIInChI=1S/C8H15N3O2S/c1-2-7-10-8(14-11-7)9-3-5-13-6-4-12/h12H,2-6H2,1H3,(H,9,10,11)
InChIKeyWHSADUCJUQNQJK-UHFFFAOYSA-N
XLogP0.52
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
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 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (CID 65276529) is 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is CCc1nsc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is WHSADUCJUQNQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-7-10-8(14-11-7)9-3-5-13-6-4-12/h12H,2-6H2,1H3,(H,9,10,11).
What are the key properties of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 217.29 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65276529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).