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

C6H8N4O2S — CID 91057272

IUPAC2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
SMILESCC/N=C(\C(=O)O)c1nsc(N)n1
InChIInChI=1S/C6H8N4O2S/c1-2-8-3(5(11)12)4-9-6(7)13-10-4/h2H2,1H3,(H,11,12)(H2,7,9,10)/b8-3-
InChIKeyKHZXCURUXQKFEU-BAQGIRSFSA-N
MW200.22 g/mol
LogP0.01
Rot. Bonds3

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

2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid (PubChem CID 91057272) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid.

Molecular Properties

Compound Name2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
PubChem CID91057272
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
SMILESCC/N=C(\C(=O)O)c1nsc(N)n1
InChIInChI=1S/C6H8N4O2S/c1-2-8-3(5(11)12)4-9-6(7)13-10-4/h2H2,1H3,(H,11,12)(H2,7,9,10)/b8-3-
InChIKeyKHZXCURUXQKFEU-BAQGIRSFSA-N
XLogP0.01
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetic acid;hydrate
CID 131719032
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(4-ethoxy-4-oxobutan-2-yl)oxyiminoacetic acid
CID 88765407
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-prop-2-ynoxyiminoacetic acid
CID 54294179
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2-difluoroethoxyimino)acetic acid
CID 54451404
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-methylheptan-2-yloxyimino)acetic acid
CID 90453676
2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
CID 54419439
methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate
CID 136950450
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetic acid
CID 54111164
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oxyiminoacetic acid
CID 10754504
ethyl (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopropyloxyiminoacetate
CID 22156252

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid?
The IUPAC name of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid (CID 91057272) is 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid.
What is the SMILES notation for 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid?
The canonical SMILES for 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid is CC/N=C(\C(=O)O)c1nsc(N)n1.
What is the InChIKey of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid?
The InChIKey is KHZXCURUXQKFEU-BAQGIRSFSA-N. The full InChI is InChI=1S/C6H8N4O2S/c1-2-8-3(5(11)12)4-9-6(7)13-10-4/h2H2,1H3,(H,11,12)(H2,7,9,10)/b8-3-.
What are the key properties of 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid?
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid has a molecular weight of 200.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid is sourced from PubChem (CID 91057272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).