2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H19N5O2S — CID 20942657

IUPAC2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCCCC3)nn2c1=O)N1CCCC1
InChIInChI=1S/C15H19N5O2S/c21-12(18-6-4-5-7-18)11-10-16-14-20(13(11)22)17-15(23-14)19-8-2-1-3-9-19/h10H,1-9H2
InChIKeyXHMOLDXACITGEG-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.38
Rot. Bonds2

About 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942657) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942657
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCCCC3)nn2c1=O)N1CCCC1
InChIInChI=1S/C15H19N5O2S/c21-12(18-6-4-5-7-18)11-10-16-14-20(13(11)22)17-15(23-14)19-8-2-1-3-9-19/h10H,1-9H2
InChIKeyXHMOLDXACITGEG-UHFFFAOYSA-N
XLogP1.38
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942657) is 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(N3CCCCC3)nn2c1=O)N1CCCC1.
What is the InChIKey of 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XHMOLDXACITGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-12(18-6-4-5-7-18)11-10-16-14-20(13(11)22)17-15(23-14)19-8-2-1-3-9-19/h10H,1-9H2.
What are the key properties of 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 333.42 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).