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

C13H17N3O2S — CID 60684866

IUPAC7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCCC2CO)nc2sccn12
InChIInChI=1S/C13H17N3O2S/c17-9-11-3-1-2-4-15(11)8-10-7-12(18)16-5-6-19-13(16)14-10/h5-7,11,17H,1-4,8-9H2
InChIKeyRLNNYJZYWRLRBV-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.10
Rot. Bonds3

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

7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60684866) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID60684866
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCCC2CO)nc2sccn12
InChIInChI=1S/C13H17N3O2S/c17-9-11-3-1-2-4-15(11)8-10-7-12(18)16-5-6-19-13(16)14-10/h5-7,11,17H,1-4,8-9H2
InChIKeyRLNNYJZYWRLRBV-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 60684866) is 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCCCC2CO)nc2sccn12.
What is the InChIKey of 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RLNNYJZYWRLRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-9-11-3-1-2-4-15(11)8-10-7-12(18)16-5-6-19-13(16)14-10/h5-7,11,17H,1-4,8-9H2.
What are the key properties of 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-(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 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60684866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).