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

C7H13N3O2S — CID 65267695

IUPAC2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCc1nsc(NCCOCCO)n1
InChIInChI=1S/C7H13N3O2S/c1-6-9-7(13-10-6)8-2-4-12-5-3-11/h11H,2-5H2,1H3,(H,8,9,10)
InChIKeyGOQUJESRTGHFBO-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.27
Rot. Bonds6

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

2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 65267695) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
PubChem CID65267695
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol
SMILESCc1nsc(NCCOCCO)n1
InChIInChI=1S/C7H13N3O2S/c1-6-9-7(13-10-6)8-2-4-12-5-3-11/h11H,2-5H2,1H3,(H,8,9,10)
InChIKeyGOQUJESRTGHFBO-UHFFFAOYSA-N
XLogP0.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.27
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-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol (CID 65267695) is 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is Cc1nsc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is GOQUJESRTGHFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6-9-7(13-10-6)8-2-4-12-5-3-11/h11H,2-5H2,1H3,(H,8,9,10).
What are the key properties of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 203.27 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 65267695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).