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

C8H13N3O3S — CID 79457376

IUPAC2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
SMILESCCc1nsc(NCCOCC(=O)O)n1
InChIInChI=1S/C8H13N3O3S/c1-2-6-10-8(15-11-6)9-3-4-14-5-7(12)13/h2-5H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyXRMYQBJVUJMFCL-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.61
Rot. Bonds7

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

2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid (PubChem CID 79457376) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
PubChem CID79457376
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid
SMILESCCc1nsc(NCCOCC(=O)O)n1
InChIInChI=1S/C8H13N3O3S/c1-2-6-10-8(15-11-6)9-3-4-14-5-7(12)13/h2-5H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyXRMYQBJVUJMFCL-UHFFFAOYSA-N
XLogP0.61
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid (CID 79457376) is 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid is CCc1nsc(NCCOCC(=O)O)n1.
What is the InChIKey of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
The InChIKey is XRMYQBJVUJMFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-2-6-10-8(15-11-6)9-3-4-14-5-7(12)13/h2-5H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid?
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetic acid has a molecular weight of 231.28 g/mol, XLogP of 0.61, 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]acetic acid is sourced from PubChem (CID 79457376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).