(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid

C5H6N4O3S — CID 29415383

IUPAC(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)c1nsc(N)n1
InChIInChI=1S/C5H6N4O3S/c1-12-8-2(4(10)11)3-7-5(6)13-9-3/h1H3,(H,10,11)(H2,6,7,9)/b8-2+
InChIKeyOSIJZKVBQPTIMT-KRXBUXKQSA-N
MW202.19 g/mol
LogP-0.44
Rot. Bonds3

About (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid

(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid (PubChem CID 29415383) has the molecular formula C5H6N4O3S and a molecular weight of 202.19 g/mol. Its IUPAC name is (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid
PubChem CID29415383
Molecular FormulaC5H6N4O3S
Molecular Weight202.19 g/mol
Exact Mass202.02
IUPAC Name(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid
SMILESCO/N=C(/C(=O)O)c1nsc(N)n1
InChIInChI=1S/C5H6N4O3S/c1-12-8-2(4(10)11)3-7-5(6)13-9-3/h1H3,(H,10,11)(H2,6,7,9)/b8-2+
InChIKeyOSIJZKVBQPTIMT-KRXBUXKQSA-N
XLogP-0.44
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic 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 (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid?
The IUPAC name of (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid (CID 29415383) is (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid?
The canonical SMILES for (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid is CO/N=C(/C(=O)O)c1nsc(N)n1.
What is the InChIKey of (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid?
The InChIKey is OSIJZKVBQPTIMT-KRXBUXKQSA-N. The full InChI is InChI=1S/C5H6N4O3S/c1-12-8-2(4(10)11)3-7-5(6)13-9-3/h1H3,(H,10,11)(H2,6,7,9)/b8-2+.
What are the key properties of (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid?
(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid has a molecular weight of 202.19 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 29415383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).