ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

C8H11N3O3S — CID 173275185

IUPACethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
SMILESCCOC(=O)C(=NO)c1nc(N)sc1C
InChIInChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13)5-4(2)15-8(9)10-5/h13H,3H2,1-2H3,(H2,9,10)
InChIKeyXVWZWOZAHGBNAQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.78
Rot. Bonds3

About ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate (PubChem CID 173275185) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
PubChem CID173275185
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Nameethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
SMILESCCOC(=O)C(=NO)c1nc(N)sc1C
InChIInChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13)5-4(2)15-8(9)10-5/h13H,3H2,1-2H3,(H2,9,10)
InChIKeyXVWZWOZAHGBNAQ-UHFFFAOYSA-N
XLogP0.78
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
The IUPAC name of ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate (CID 173275185) is ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
The canonical SMILES for ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate is CCOC(=O)C(=NO)c1nc(N)sc1C.
What is the InChIKey of ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
The InChIKey is XVWZWOZAHGBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13)5-4(2)15-8(9)10-5/h13H,3H2,1-2H3,(H2,9,10).
What are the key properties of ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate has a molecular weight of 229.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate is sourced from PubChem (CID 173275185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).