2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid

C7H9N3O3S — CID 123144089

IUPAC2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
SMILESCC(=NOCC(=O)O)c1csc(N)n1
InChIInChI=1S/C7H9N3O3S/c1-4(10-13-2-6(11)12)5-3-14-7(8)9-5/h3H,2H2,1H3,(H2,8,9)(H,11,12)
InChIKeyQCKXWPQATSIJBS-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.55
Rot. Bonds4

About 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid

2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid (PubChem CID 123144089) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
PubChem CID123144089
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
SMILESCC(=NOCC(=O)O)c1csc(N)n1
InChIInChI=1S/C7H9N3O3S/c1-4(10-13-2-6(11)12)5-3-14-7(8)9-5/h3H,2H2,1H3,(H2,8,9)(H,11,12)
InChIKeyQCKXWPQATSIJBS-UHFFFAOYSA-N
XLogP0.55
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 149383039
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-chloro-2-oxoethylidene]amino]oxyacetic acid;hydrochloride
CID 85059142
2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(tert-butylamino)-2-oxoethylidene]amino]oxyacetic acid
CID 168784586
formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
CID 143798534
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxopropoxyimino)acetamide
CID 89243139
(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
CID 14193034
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
(2E)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 154043594
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-3-(1-hydroxy-2,2-dimethyl-4-oxoazetidin-3-yl)-2-oxopropylidene]amino]oxyacetic acid
CID 172975705
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 10870340
2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid;dihydrochloride
CID 173277547

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
The IUPAC name of 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid (CID 123144089) is 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
The canonical SMILES for 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid is CC(=NOCC(=O)O)c1csc(N)n1.
What is the InChIKey of 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
The InChIKey is QCKXWPQATSIJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-4(10-13-2-6(11)12)5-3-14-7(8)9-5/h3H,2H2,1H3,(H2,8,9)(H,11,12).
What are the key properties of 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid has a molecular weight of 215.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid is sourced from PubChem (CID 123144089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).