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

C6H8N4O3S — CID 54066716

IUPAC2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid
SMILESNc1nc(CCON=CC(=O)O)ns1
InChIInChI=1S/C6H8N4O3S/c7-6-9-4(10-14-6)1-2-13-8-3-5(11)12/h3H,1-2H2,(H,11,12)(H2,7,9,10)
InChIKeyMDNGXRFORIGXJD-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.25
Rot. Bonds5

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

2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid (PubChem CID 54066716) has the molecular formula C6H8N4O3S and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid
PubChem CID54066716
Molecular FormulaC6H8N4O3S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Name2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid
SMILESNc1nc(CCON=CC(=O)O)ns1
InChIInChI=1S/C6H8N4O3S/c7-6-9-4(10-14-6)1-2-13-8-3-5(11)12/h3H,1-2H2,(H,11,12)(H2,7,9,10)
InChIKeyMDNGXRFORIGXJD-UHFFFAOYSA-N
XLogP-0.25
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid?
The IUPAC name of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid (CID 54066716) is 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid.
What is the SMILES notation for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid?
The canonical SMILES for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid is Nc1nc(CCON=CC(=O)O)ns1.
What is the InChIKey of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid?
The InChIKey is MDNGXRFORIGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3S/c7-6-9-4(10-14-6)1-2-13-8-3-5(11)12/h3H,1-2H2,(H,11,12)(H2,7,9,10).
What are the key properties of 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid?
2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid has a molecular weight of 216.22 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-1,2,4-thiadiazol-3-yl)ethoxyimino]acetic acid is sourced from PubChem (CID 54066716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).