2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone

C15H16N6OS — CID 164619516

IUPAC2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cn1cnc2c(N3CCCCC3)ncnc21)c1nccs1
InChIInChI=1S/C15H16N6OS/c22-11(15-16-4-7-23-15)8-21-10-19-12-13(17-9-18-14(12)21)20-5-2-1-3-6-20/h4,7,9-10H,1-3,5-6,8H2
InChIKeyJIRILZIXOWEOCW-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.16
Rot. Bonds4

About 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone

2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 164619516) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
PubChem CID164619516
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cn1cnc2c(N3CCCCC3)ncnc21)c1nccs1
InChIInChI=1S/C15H16N6OS/c22-11(15-16-4-7-23-15)8-21-10-19-12-13(17-9-18-14(12)21)20-5-2-1-3-6-20/h4,7,9-10H,1-3,5-6,8H2
InChIKeyJIRILZIXOWEOCW-UHFFFAOYSA-N
XLogP2.16
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone (CID 164619516) is 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone is O=C(Cn1cnc2c(N3CCCCC3)ncnc21)c1nccs1.
What is the InChIKey of 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is JIRILZIXOWEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-11(15-16-4-7-23-15)8-21-10-19-12-13(17-9-18-14(12)21)20-5-2-1-3-6-20/h4,7,9-10H,1-3,5-6,8H2.
What are the key properties of 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone?
2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 328.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 164619516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).