ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate

C11H14N2O4S — CID 134892477

IUPACethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate
SMILES[H]/N=C(\C(=O)OCC)c1nc(C)sc1C(=O)OCC
InChIInChI=1S/C11H14N2O4S/c1-4-16-10(14)7(12)8-9(11(15)17-5-2)18-6(3)13-8/h12H,4-5H2,1-3H3/b12-7-
InChIKeyPSGYTHNUFXOCGK-GHXNOFRVSA-N
MW270.31 g/mol
LogP1.56
Rot. Bonds5

About ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate

ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate (PubChem CID 134892477) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate
PubChem CID134892477
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Nameethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate
SMILES[H]/N=C(\C(=O)OCC)c1nc(C)sc1C(=O)OCC
InChIInChI=1S/C11H14N2O4S/c1-4-16-10(14)7(12)8-9(11(15)17-5-2)18-6(3)13-8/h12H,4-5H2,1-3H3/b12-7-
InChIKeyPSGYTHNUFXOCGK-GHXNOFRVSA-N
XLogP1.56
TPSA89.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate (CID 134892477) is ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate is [H]/N=C(\C(=O)OCC)c1nc(C)sc1C(=O)OCC.
What is the InChIKey of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PSGYTHNUFXOCGK-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-4-16-10(14)7(12)8-9(11(15)17-5-2)18-6(3)13-8/h12H,4-5H2,1-3H3/b12-7-.
What are the key properties of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate?
ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-2-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 134892477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).