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

C15H19N5O3S — CID 20942755

IUPAC2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCCCC1
InChIInChI=1S/C15H19N5O3S/c21-12(18-4-2-1-3-5-18)11-10-16-14-20(13(11)22)17-15(24-14)19-6-8-23-9-7-19/h10H,1-9H2
InChIKeyOLLVABODQLTPSF-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.61
Rot. Bonds2

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

2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942755) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942755
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCCCC1
InChIInChI=1S/C15H19N5O3S/c21-12(18-4-2-1-3-5-18)11-10-16-14-20(13(11)22)17-15(24-14)19-6-8-23-9-7-19/h10H,1-9H2
InChIKeyOLLVABODQLTPSF-UHFFFAOYSA-N
XLogP0.61
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942755) is 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCCCC1.
What is the InChIKey of 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OLLVABODQLTPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c21-12(18-4-2-1-3-5-18)11-10-16-14-20(13(11)22)17-15(24-14)19-6-8-23-9-7-19/h10H,1-9H2.
What are the key properties of 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 349.42 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(piperidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).