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

C7H11N3O3S — CID 88534045

IUPACethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(=N\O)C1CSC(N)=N1
InChIInChI=1S/C7H11N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h4,12H,2-3H2,1H3,(H2,8,9)/b10-5-
InChIKeyRQSXZFJYRZHYSF-YHYXMXQVSA-N
MW217.25 g/mol
LogP-0.19
Rot. Bonds3

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

ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate (PubChem CID 88534045) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
PubChem CID88534045
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Nameethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(=N\O)C1CSC(N)=N1
InChIInChI=1S/C7H11N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h4,12H,2-3H2,1H3,(H2,8,9)/b10-5-
InChIKeyRQSXZFJYRZHYSF-YHYXMXQVSA-N
XLogP-0.19
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.19
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'}

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Related Compounds

Ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 15038778
ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 60091769
Ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 72645880
Ethyl 2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 45076185
ethyl (4S,5S)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488824
ethyl (4S,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488825
ethyl (4R,5S)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488826
ethyl (4R,5R)-2-amino-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 93488827
Ceftizoxime Impurity 102
CID 177833141

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate (CID 88534045) is ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate is CCOC(=O)/C(=N\O)C1CSC(N)=N1.
What is the InChIKey of ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
The InChIKey is RQSXZFJYRZHYSF-YHYXMXQVSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h4,12H,2-3H2,1H3,(H2,8,9)/b10-5-.
What are the key properties of ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate?
ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate has a molecular weight of 217.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-2-hydroxyiminoacetate is sourced from PubChem (CID 88534045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).