ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

C9H8N2O3S — CID 54410851

IUPACethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C9H8N2O3S/c1-2-14-8(13)6-5-7(12)10-9-11(6)3-4-15-9/h3-5H,2H2,1H3
InChIKeyVUAHUJSGZUKBJP-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.93
Rot. Bonds2

About ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 54410851) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID54410851
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Nameethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C9H8N2O3S/c1-2-14-8(13)6-5-7(12)10-9-11(6)3-4-15-9/h3-5H,2H2,1H3
InChIKeyVUAHUJSGZUKBJP-UHFFFAOYSA-N
XLogP0.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 7-oxo-7H-(1,3)thiazolo(3,2-A)pyrimidine-5-carboxylate
CID 648108
Methyl 3-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 3335216
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl acetate
CID 8235554
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 2-methylpropanoate
CID 7782367
7-(Methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 90860344
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9505308
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl propanoate
CID 20946469
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl butanoate
CID 20946470
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl pentanoate
CID 20946471
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 3-methylbutanoate
CID 20946472
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2,2-dimethylpropanoate
CID 20946473
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl acetate
CID 20946478

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 54410851) is ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is VUAHUJSGZUKBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-14-8(13)6-5-7(12)10-9-11(6)3-4-15-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 54410851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).