ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate

C11H15N3O3S — CID 21249009

IUPACethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate
SMILESCCOC(=O)/C(=N/OCC1CC1)c1csc(N)n1
InChIInChI=1S/C11H15N3O3S/c1-2-16-10(15)9(8-6-18-11(12)13-8)14-17-5-7-3-4-7/h6-7H,2-5H2,1H3,(H2,12,13)/b14-9+
InChIKeyZMUPYDGYGSTMFW-NTEUORMPSA-N
MW269.33 g/mol
LogP1.42
Rot. Bonds6

About ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate

ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate (PubChem CID 21249009) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate
PubChem CID21249009
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate
SMILESCCOC(=O)/C(=N/OCC1CC1)c1csc(N)n1
InChIInChI=1S/C11H15N3O3S/c1-2-16-10(15)9(8-6-18-11(12)13-8)14-17-5-7-3-4-7/h6-7H,2-5H2,1H3,(H2,12,13)/b14-9+
InChIKeyZMUPYDGYGSTMFW-NTEUORMPSA-N
XLogP1.42
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate?
The IUPAC name of ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate (CID 21249009) is ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate.
What is the SMILES notation for ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate?
The canonical SMILES for ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate is CCOC(=O)/C(=N/OCC1CC1)c1csc(N)n1.
What is the InChIKey of ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate?
The InChIKey is ZMUPYDGYGSTMFW-NTEUORMPSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-16-10(15)9(8-6-18-11(12)13-8)14-17-5-7-3-4-7/h6-7H,2-5H2,1H3,(H2,12,13)/b14-9+.
What are the key properties of ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate?
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate has a molecular weight of 269.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(cyclopropylmethoxyimino)acetate is sourced from PubChem (CID 21249009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).