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

C13H17N3O2S — CID 60638834

IUPAC7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2sccn12
InChIInChI=1S/C13H17N3O2S/c17-9-10-2-1-3-15(7-10)8-11-6-12(18)16-4-5-19-13(16)14-11/h4-6,10,17H,1-3,7-9H2
InChIKeyBXUWGNJGZCSIFJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.96
Rot. Bonds3

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

7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60638834) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID60638834
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCC(CO)C2)nc2sccn12
InChIInChI=1S/C13H17N3O2S/c17-9-10-2-1-3-15(7-10)8-11-6-12(18)16-4-5-19-13(16)14-11/h4-6,10,17H,1-3,7-9H2
InChIKeyBXUWGNJGZCSIFJ-UHFFFAOYSA-N
XLogP0.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 60638834) is 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCCC(CO)C2)nc2sccn12.
What is the InChIKey of 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BXUWGNJGZCSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-9-10-2-1-3-15(7-10)8-11-6-12(18)16-4-5-19-13(16)14-11/h4-6,10,17H,1-3,7-9H2.
What are the key properties of 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60638834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).