ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate

C10H12N2O5S — CID 10890998

IUPACethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C(=O)c1nc(N)sc1C(=O)OCC
InChIInChI=1S/C10H12N2O5S/c1-3-16-8(14)6(13)5-7(9(15)17-4-2)18-10(11)12-5/h3-4H2,1-2H3,(H2,11,12)
InChIKeyABMVWGRPRGNEIT-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.65
Rot. Bonds5

About ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate (PubChem CID 10890998) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate
PubChem CID10890998
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Nameethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C(=O)c1nc(N)sc1C(=O)OCC
InChIInChI=1S/C10H12N2O5S/c1-3-16-8(14)6(13)5-7(9(15)17-4-2)18-10(11)12-5/h3-4H2,1-2H3,(H2,11,12)
InChIKeyABMVWGRPRGNEIT-UHFFFAOYSA-N
XLogP0.65
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate (CID 10890998) is ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate is CCOC(=O)C(=O)c1nc(N)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate?
The InChIKey is ABMVWGRPRGNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-3-16-8(14)6(13)5-7(9(15)17-4-2)18-10(11)12-5/h3-4H2,1-2H3,(H2,11,12).
What are the key properties of ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate has a molecular weight of 272.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethoxy-2-oxoacetyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 10890998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).