3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one

C11H12N4OS — CID 82383394

IUPAC3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one
SMILESCc1ncc2c(C3CNCCC3=O)nsc2n1
InChIInChI=1S/C11H12N4OS/c1-6-13-5-8-10(15-17-11(8)14-6)7-4-12-3-2-9(7)16/h5,7,12H,2-4H2,1H3
InChIKeyAYCARCHYWULHNG-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.04
Rot. Bonds1

About 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one

3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one (PubChem CID 82383394) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one
PubChem CID82383394
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one
SMILESCc1ncc2c(C3CNCCC3=O)nsc2n1
InChIInChI=1S/C11H12N4OS/c1-6-13-5-8-10(15-17-11(8)14-6)7-4-12-3-2-9(7)16/h5,7,12H,2-4H2,1H3
InChIKeyAYCARCHYWULHNG-UHFFFAOYSA-N
XLogP1.04
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one?
The IUPAC name of 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one (CID 82383394) is 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one.
What is the SMILES notation for 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one?
The canonical SMILES for 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one is Cc1ncc2c(C3CNCCC3=O)nsc2n1.
What is the InChIKey of 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one?
The InChIKey is AYCARCHYWULHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-13-5-8-10(15-17-11(8)14-6)7-4-12-3-2-9(7)16/h5,7,12H,2-4H2,1H3.
What are the key properties of 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one?
3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one has a molecular weight of 248.31 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)piperidin-4-one is sourced from PubChem (CID 82383394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).