diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate

C11H14N2O5S — CID 20788327

IUPACdiethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(NC(C)=O)sc1C(=O)OCC
InChIInChI=1S/C11H14N2O5S/c1-4-17-9(15)7-8(10(16)18-5-2)19-11(13-7)12-6(3)14/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyGGMDKSUKJWRKMX-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.45
Rot. Bonds5

About diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate

diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate (PubChem CID 20788327) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
PubChem CID20788327
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Namediethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(NC(C)=O)sc1C(=O)OCC
InChIInChI=1S/C11H14N2O5S/c1-4-17-9(15)7-8(10(16)18-5-2)19-11(13-7)12-6(3)14/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyGGMDKSUKJWRKMX-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
diethyl 2-ethynyl-1,3-thiazole-4,5-dicarboxylate
CID 86609815
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate
CID 153387772
ethyl 5-acetyl-2-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 107378230
ethyl 5-acetyl-2-[(4-amino-4-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 107378363

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate (CID 20788327) is diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate is CCOC(=O)c1nc(NC(C)=O)sc1C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is GGMDKSUKJWRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-4-17-9(15)7-8(10(16)18-5-2)19-11(13-7)12-6(3)14/h4-5H2,1-3H3,(H,12,13,14).
What are the key properties of diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate?
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 286.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 20788327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).