2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C10H12N4OS — CID 135572403

IUPAC2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCCCC3)sc12
InChIInChI=1S/C10H12N4OS/c15-9-7-8(11-6-12-9)13-10(16-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,11,12,15)
InChIKeyWSJOLTWQVWYJMI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.37
Rot. Bonds1

About 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 135572403) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID135572403
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]cnc2nc(N3CCCCC3)sc12
InChIInChI=1S/C10H12N4OS/c15-9-7-8(11-6-12-9)13-10(16-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,11,12,15)
InChIKeyWSJOLTWQVWYJMI-UHFFFAOYSA-N
XLogP1.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 135572403) is 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1[nH]cnc2nc(N3CCCCC3)sc12.
What is the InChIKey of 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WSJOLTWQVWYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c15-9-7-8(11-6-12-9)13-10(16-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,11,12,15).
What are the key properties of 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 236.30 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135572403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).