ethyl 2-(1,3-thiazol-5-yloxyimino)acetate

C7H8N2O3S — CID 87735685

IUPACethyl 2-(1,3-thiazol-5-yloxyimino)acetate
SMILESCCOC(=O)C=NOc1cncs1
InChIInChI=1S/C7H8N2O3S/c1-2-11-6(10)3-9-12-7-4-8-5-13-7/h3-5H,2H2,1H3
InChIKeyBYUXERWFITXYJY-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-(1,3-thiazol-5-yloxyimino)acetate

ethyl 2-(1,3-thiazol-5-yloxyimino)acetate (PubChem CID 87735685) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-yloxyimino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-yloxyimino)acetate
PubChem CID87735685
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Nameethyl 2-(1,3-thiazol-5-yloxyimino)acetate
SMILESCCOC(=O)C=NOc1cncs1
InChIInChI=1S/C7H8N2O3S/c1-2-11-6(10)3-9-12-7-4-8-5-13-7/h3-5H,2H2,1H3
InChIKeyBYUXERWFITXYJY-UHFFFAOYSA-N
XLogP1.07
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
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 ethyl 2-(1,3-thiazol-5-yloxyimino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-yloxyimino)acetate (CID 87735685) is ethyl 2-(1,3-thiazol-5-yloxyimino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-yloxyimino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-yloxyimino)acetate is CCOC(=O)C=NOc1cncs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-yloxyimino)acetate?
The InChIKey is BYUXERWFITXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-2-11-6(10)3-9-12-7-4-8-5-13-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-yloxyimino)acetate?
ethyl 2-(1,3-thiazol-5-yloxyimino)acetate has a molecular weight of 200.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-5-yloxyimino)acetate is sourced from PubChem (CID 87735685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).