3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H10N2O2S — CID 135667603

IUPAC3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2nc(O)c(C)c(=O)n12
InChIInChI=1S/C9H10N2O2S/c1-3-6-4-14-9-10-7(12)5(2)8(13)11(6)9/h4,12H,3H2,1-2H3
InChIKeyPOESCWHIVFMBAW-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.33
Rot. Bonds1

About 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135667603) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135667603
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1csc2nc(O)c(C)c(=O)n12
InChIInChI=1S/C9H10N2O2S/c1-3-6-4-14-9-10-7(12)5(2)8(13)11(6)9/h4,12H,3H2,1-2H3
InChIKeyPOESCWHIVFMBAW-UHFFFAOYSA-N
XLogP1.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135667603) is 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1csc2nc(O)c(C)c(=O)n12.
What is the InChIKey of 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is POESCWHIVFMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-6-4-14-9-10-7(12)5(2)8(13)11(6)9/h4,12H,3H2,1-2H3.
What are the key properties of 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 210.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-hydroxy-6-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135667603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).