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

C12H15N3O2S — CID 47103112

IUPAC7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCC(O)C2)nc2sccn12
InChIInChI=1S/C12H15N3O2S/c16-10-2-1-3-14(8-10)7-9-6-11(17)15-4-5-18-12(15)13-9/h4-6,10,16H,1-3,7-8H2
InChIKeyHFZBIIYWNYPVRM-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.71
Rot. Bonds2

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

7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47103112) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47103112
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCC(O)C2)nc2sccn12
InChIInChI=1S/C12H15N3O2S/c16-10-2-1-3-14(8-10)7-9-6-11(17)15-4-5-18-12(15)13-9/h4-6,10,16H,1-3,7-8H2
InChIKeyHFZBIIYWNYPVRM-UHFFFAOYSA-N
XLogP0.71
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47103112) is 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCCC(O)C2)nc2sccn12.
What is the InChIKey of 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HFZBIIYWNYPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c16-10-2-1-3-14(8-10)7-9-6-11(17)15-4-5-18-12(15)13-9/h4-6,10,16H,1-3,7-8H2.
What are the key properties of 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 265.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxypiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47103112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).