7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C8H8N2O2S — CID 90860344

IUPAC7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H8N2O2S/c1-12-5-6-4-7(11)10-2-3-13-8(10)9-6/h2-4H,5H2,1H3
InChIKeyJODCNFBVXVIRJG-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.90
Rot. Bonds2

About 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 90860344) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID90860344
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C8H8N2O2S/c1-12-5-6-4-7(11)10-2-3-13-8(10)9-6/h2-4H,5H2,1H3
InChIKeyJODCNFBVXVIRJG-UHFFFAOYSA-N
XLogP0.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 90860344) is 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JODCNFBVXVIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-12-5-6-4-7(11)10-2-3-13-8(10)9-6/h2-4H,5H2,1H3.
What are the key properties of 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 196.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 90860344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).