2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid

C6H9N3O3S — CID 79457197

IUPAC2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNc1ncns1
InChIInChI=1S/C6H9N3O3S/c10-5(11)3-12-2-1-7-6-8-4-9-13-6/h4H,1-3H2,(H,10,11)(H,7,8,9)
InChIKeySVUZIDFHGGYPCI-UHFFFAOYSA-N
MW203.22 g/mol
LogP0.05
Rot. Bonds6

About 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid

2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid (PubChem CID 79457197) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid
PubChem CID79457197
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNc1ncns1
InChIInChI=1S/C6H9N3O3S/c10-5(11)3-12-2-1-7-6-8-4-9-13-6/h4H,1-3H2,(H,10,11)(H,7,8,9)
InChIKeySVUZIDFHGGYPCI-UHFFFAOYSA-N
XLogP0.05
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.05
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-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid (CID 79457197) is 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid is O=C(O)COCCNc1ncns1.
What is the InChIKey of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid?
The InChIKey is SVUZIDFHGGYPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c10-5(11)3-12-2-1-7-6-8-4-9-13-6/h4H,1-3H2,(H,10,11)(H,7,8,9).
What are the key properties of 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid?
2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid has a molecular weight of 203.22 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-thiadiazol-5-ylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).