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

C7H6N2O2S — CID 13105852

IUPAC7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CO)nc2sccn12
InChIInChI=1S/C7H6N2O2S/c10-4-5-3-6(11)9-1-2-12-7(9)8-5/h1-3,10H,4H2
InChIKeyXHVAEOYEFHRBPA-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.25
Rot. Bonds1

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

7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 13105852) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID13105852
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CO)nc2sccn12
InChIInChI=1S/C7H6N2O2S/c10-4-5-3-6(11)9-1-2-12-7(9)8-5/h1-3,10H,4H2
InChIKeyXHVAEOYEFHRBPA-UHFFFAOYSA-N
XLogP0.25
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 13105852) is 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CO)nc2sccn12.
What is the InChIKey of 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XHVAEOYEFHRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-4-5-3-6(11)9-1-2-12-7(9)8-5/h1-3,10H,4H2.
What are the key properties of 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 182.20 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 13105852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).