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

C7H9N3O3S — CID 149383039

IUPAC2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
SMILESC/C(=N/OCC(=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)/b10-4-
InChIKeyQCKXWPQATSIJBS-WMZJFQQLSA-N
MW215.23 g/mol
LogP0.55
Rot. Bonds4

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

2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid (PubChem CID 149383039) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
PubChem CID149383039
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
SMILESC/C(=N/OCC(=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)/b10-4-
InChIKeyQCKXWPQATSIJBS-WMZJFQQLSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
The IUPAC name of 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid (CID 149383039) is 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid is C/C(=N/OCC(=O)O)c1csc(N)n1.
What is the InChIKey of 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
The InChIKey is QCKXWPQATSIJBS-WMZJFQQLSA-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)/b10-4-.
What are the key properties of 2-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid?
2-[(Z)-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-[(Z)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid is sourced from PubChem (CID 149383039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).