2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid

C6H7N5O4S — CID 54419439

IUPAC2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
SMILESNC(=O)C(=NOCC(=O)O)c1nsc(N)n1
InChIInChI=1S/C6H7N5O4S/c7-4(14)3(10-15-1-2(12)13)5-9-6(8)16-11-5/h1H2,(H2,7,14)(H,12,13)(H2,8,9,11)
InChIKeyCFEFNAFEZBCMFA-UHFFFAOYSA-N
MW245.22 g/mol
LogP-1.59
Rot. Bonds5

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

2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid (PubChem CID 54419439) has the molecular formula C6H7N5O4S and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
PubChem CID54419439
Molecular FormulaC6H7N5O4S
Molecular Weight245.22 g/mol
Exact Mass245.02
IUPAC Name2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
SMILESNC(=O)C(=NOCC(=O)O)c1nsc(N)n1
InChIInChI=1S/C6H7N5O4S/c7-4(14)3(10-15-1-2(12)13)5-9-6(8)16-11-5/h1H2,(H2,7,14)(H,12,13)(H2,8,9,11)
InChIKeyCFEFNAFEZBCMFA-UHFFFAOYSA-N
XLogP-1.59
TPSA153.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-prop-2-ynoxyiminoacetic acid
CID 54294179
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2-difluoroethoxyimino)acetic acid
CID 54451404
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
CID 91057272
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
3-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxypropanoic acid
CID 173411363
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetic acid
CID 54111164
(6S)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethoxyimino)acetyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 54350891
(Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)pent-2-enedioic acid
CID 138517478
ethyl (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopropyloxyiminoacetate
CID 22156252
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoic acid;hydrochloride
CID 131737859

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid?
The IUPAC name of 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid (CID 54419439) is 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid is NC(=O)C(=NOCC(=O)O)c1nsc(N)n1.
What is the InChIKey of 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid?
The InChIKey is CFEFNAFEZBCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O4S/c7-4(14)3(10-15-1-2(12)13)5-9-6(8)16-11-5/h1H2,(H2,7,14)(H,12,13)(H2,8,9,11).
What are the key properties of 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid?
2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid has a molecular weight of 245.22 g/mol, XLogP of -1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid is sourced from PubChem (CID 54419439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).