ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C11H14N2O5S — CID 2205903

IUPACethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(=O)OCC)n1
InChIInChI=1S/C11H14N2O5S/c1-3-17-8(14)5-7-6-19-11(12-7)13-9(15)10(16)18-4-2/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyQNVBMRBNNIXYJP-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.75
Rot. Bonds5

About ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 2205903) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID2205903
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Nameethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(=O)OCC)n1
InChIInChI=1S/C11H14N2O5S/c1-3-17-8(14)5-7-6-19-11(12-7)13-9(15)10(16)18-4-2/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyQNVBMRBNNIXYJP-UHFFFAOYSA-N
XLogP0.75
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(formylamino)-alpha-oxo-4-thiazoleacetate
CID 2733245
4-Thiazoleacetic acid, 2-amino-, ethyl ester
CID 104454
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
CID 470180
Ethyl {2-[(4-morpholinylacetyl)amino]-1,3-thiazol-4-yl}acetate
CID 6470921
Ethyl 2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145085
Ethyl [2-(butanoylamino)-1,3-thiazol-4-yl]acetate
CID 2253148
Ethyl {2-[(2,2-dimethylpropanoyl)amino]-1,3-thiazol-4-yl}acetate
CID 732359
[2-(2,2-Dimethyl-butyrylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 787338
Ethyl 2-[2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 1717182
Ethyl 2-formamidothiazol-4-acetate
CID 688091
Ethyl 2-(2-(2-aminoacetamido)thiazol-4-yl)acetate
CID 54551034
Ethyl 2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 732358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 2205903) is ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOC(=O)Cc1csc(NC(=O)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is QNVBMRBNNIXYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-3-17-8(14)5-7-6-19-11(12-7)13-9(15)10(16)18-4-2/h6H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 286.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 2205903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).