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

C7H11N3O3S — CID 79457290

IUPAC2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
SMILESCc1nsc(NCCOCC(=O)O)n1
InChIInChI=1S/C7H11N3O3S/c1-5-9-7(14-10-5)8-2-3-13-4-6(11)12/h2-4H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyJMOGCADBCSBWBM-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.36
Rot. Bonds6

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

2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid (PubChem CID 79457290) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
PubChem CID79457290
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
SMILESCc1nsc(NCCOCC(=O)O)n1
InChIInChI=1S/C7H11N3O3S/c1-5-9-7(14-10-5)8-2-3-13-4-6(11)12/h2-4H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyJMOGCADBCSBWBM-UHFFFAOYSA-N
XLogP0.36
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.36
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]acetic acid?
The IUPAC name of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid (CID 79457290) is 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid is Cc1nsc(NCCOCC(=O)O)n1.
What is the InChIKey of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The InChIKey is JMOGCADBCSBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-5-9-7(14-10-5)8-2-3-13-4-6(11)12/h2-4H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid has a molecular weight of 217.25 g/mol, XLogP of 0.36, 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]acetic acid is sourced from PubChem (CID 79457290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).