ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate

C10H12N2O4S — CID 3143117

IUPACethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)C1(c2csc(N)n2)COC(=O)C1
InChIInChI=1S/C10H12N2O4S/c1-2-15-8(14)10(3-7(13)16-5-10)6-4-17-9(11)12-6/h4H,2-3,5H2,1H3,(H2,11,12)
InChIKeyLYYVOYIVHCKYQX-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.47
Rot. Bonds3

About ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate

ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate (PubChem CID 3143117) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate
PubChem CID3143117
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Nameethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate
SMILESCCOC(=O)C1(c2csc(N)n2)COC(=O)C1
InChIInChI=1S/C10H12N2O4S/c1-2-15-8(14)10(3-7(13)16-5-10)6-4-17-9(11)12-6/h4H,2-3,5H2,1H3,(H2,11,12)
InChIKeyLYYVOYIVHCKYQX-UHFFFAOYSA-N
XLogP0.47
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate?
The IUPAC name of ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate (CID 3143117) is ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate?
The canonical SMILES for ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate is CCOC(=O)C1(c2csc(N)n2)COC(=O)C1.
What is the InChIKey of ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate?
The InChIKey is LYYVOYIVHCKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-2-15-8(14)10(3-7(13)16-5-10)6-4-17-9(11)12-6/h4H,2-3,5H2,1H3,(H2,11,12).
What are the key properties of ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate?
ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate has a molecular weight of 256.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-amino-1,3-thiazol-4-yl)-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 3143117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).