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

C12H15N3OS — CID 2122913

IUPAC7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCCC2)nc2sccn12
InChIInChI=1S/C12H15N3OS/c16-11-8-10(9-14-4-2-1-3-5-14)13-12-15(11)6-7-17-12/h6-8H,1-5,9H2
InChIKeyLIOIAZUHAQPQRB-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.74
Rot. Bonds2

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

7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2122913) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2122913
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCCC2)nc2sccn12
InChIInChI=1S/C12H15N3OS/c16-11-8-10(9-14-4-2-1-3-5-14)13-12-15(11)6-7-17-12/h6-8H,1-5,9H2
InChIKeyLIOIAZUHAQPQRB-UHFFFAOYSA-N
XLogP1.74
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2122913) is 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCCCC2)nc2sccn12.
What is the InChIKey of 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LIOIAZUHAQPQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-11-8-10(9-14-4-2-1-3-5-14)13-12-15(11)6-7-17-12/h6-8H,1-5,9H2.
What are the key properties of 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 249.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2122913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).