5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate

C8H10N2O4S — CID 88820286

IUPAC5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1sc(N)nc1C(=O)OC
InChIInChI=1S/C8H10N2O4S/c1-3-14-7(12)5-4(6(11)13-2)10-8(9)15-5/h3H2,1-2H3,(H2,9,10)
InChIKeyAFAZMYZTALMFQH-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.69
Rot. Bonds3

About 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate

5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate (PubChem CID 88820286) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
PubChem CID88820286
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1sc(N)nc1C(=O)OC
InChIInChI=1S/C8H10N2O4S/c1-3-14-7(12)5-4(6(11)13-2)10-8(9)15-5/h3H2,1-2H3,(H2,9,10)
InChIKeyAFAZMYZTALMFQH-UHFFFAOYSA-N
XLogP0.69
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate (CID 88820286) is 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate is CCOC(=O)c1sc(N)nc1C(=O)OC.
What is the InChIKey of 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is AFAZMYZTALMFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-3-14-7(12)5-4(6(11)13-2)10-8(9)15-5/h3H2,1-2H3,(H2,9,10).
What are the key properties of 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate?
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 230.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 88820286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).