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

C8H6N2O3S — CID 648108

IUPACmethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
InChIKeyYPIZITNNUSTRMY-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.54
Rot. Bonds1

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

methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 648108) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID648108
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Namemethyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
InChIKeyYPIZITNNUSTRMY-UHFFFAOYSA-N
XLogP0.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 648108) is methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is COC(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is YPIZITNNUSTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3.
What are the key properties of methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 210.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 648108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).