2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid

C7H9N3O3S — CID 54403172

IUPAC2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)c1nc(N)sc1C
InChIInChI=1S/C7H9N3O3S/c1-3-4(9-7(8)14-3)5(6(11)12)10-13-2/h1-2H3,(H2,8,9)(H,11,12)
InChIKeyVOWMFPKOVXEXIR-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.47
Rot. Bonds3

About 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid

2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid (PubChem CID 54403172) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
PubChem CID54403172
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)c1nc(N)sc1C
InChIInChI=1S/C7H9N3O3S/c1-3-4(9-7(8)14-3)5(6(11)12)10-13-2/h1-2H3,(H2,8,9)(H,11,12)
InChIKeyVOWMFPKOVXEXIR-UHFFFAOYSA-N
XLogP0.47
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.47
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-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
The IUPAC name of 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid (CID 54403172) is 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid.
What is the SMILES notation for 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
The canonical SMILES for 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid is CON=C(C(=O)O)c1nc(N)sc1C.
What is the InChIKey of 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
The InChIKey is VOWMFPKOVXEXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-3-4(9-7(8)14-3)5(6(11)12)10-13-2/h1-2H3,(H2,8,9)(H,11,12).
What are the key properties of 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid has a molecular weight of 215.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 54403172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).