methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C8H6N2O4S — CID 135454198

IUPACmethyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C8H6N2O4S/c1-14-7(13)4-5(11)9-8-10(6(4)12)2-3-15-8/h2-3,11H,1H3
InChIKeyJXSKXPJOBSNLGP-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.25
Rot. Bonds1

About methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 135454198) has the molecular formula C8H6N2O4S and a molecular weight of 226.21 g/mol. Its IUPAC name is methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID135454198
Molecular FormulaC8H6N2O4S
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Namemethyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C8H6N2O4S/c1-14-7(13)4-5(11)9-8-10(6(4)12)2-3-15-8/h2-3,11H,1H3
InChIKeyJXSKXPJOBSNLGP-UHFFFAOYSA-N
XLogP0.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 135454198) is methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is JXSKXPJOBSNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4S/c1-14-7(13)4-5(11)9-8-10(6(4)12)2-3-15-8/h2-3,11H,1H3.
What are the key properties of methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 226.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135454198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).