7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C11H14N4OS — CID 18166914

IUPAC7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCCC3)sc2n1
InChIInChI=1S/C11H14N4OS/c1-8-7-9(16)15-10(12-8)17-11(13-15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyJJIAAHCLFDPUOL-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.45
Rot. Bonds1

About 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 18166914) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID18166914
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCCCC3)sc2n1
InChIInChI=1S/C11H14N4OS/c1-8-7-9(16)15-10(12-8)17-11(13-15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyJJIAAHCLFDPUOL-UHFFFAOYSA-N
XLogP1.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 18166914) is 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCCCC3)sc2n1.
What is the InChIKey of 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JJIAAHCLFDPUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-7-9(16)15-10(12-8)17-11(13-15)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 250.33 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 18166914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).