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

C14H17N5O3S — CID 20942743

IUPAC2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCCC1
InChIInChI=1S/C14H17N5O3S/c20-11(17-3-1-2-4-17)10-9-15-13-19(12(10)21)16-14(23-13)18-5-7-22-8-6-18/h9H,1-8H2
InChIKeyJLTOSNGXRMYQAH-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.22
Rot. Bonds2

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

2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942743) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942743
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCCC1
InChIInChI=1S/C14H17N5O3S/c20-11(17-3-1-2-4-17)10-9-15-13-19(12(10)21)16-14(23-13)18-5-7-22-8-6-18/h9H,1-8H2
InChIKeyJLTOSNGXRMYQAH-UHFFFAOYSA-N
XLogP0.22
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Morpholine, 4-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379281
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-4-morpholinyl-5-oxo-
CID 13379288
N-(2-methoxyethyl)-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16025866
2-Piperidin-1-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20942657
6-(Morpholine-4-carbonyl)-2-(piperidin-1-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20942658
2-(4-Methylpiperidin-1-YL)-6-(morpholine-4-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20942692
2-(Morpholin-4-YL)-6-(morpholine-4-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20942749
2-(Morpholin-4-YL)-6-(piperidine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one
CID 20942755
2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942779
N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942786
N-(3-Methoxypropyl)-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942797
N-Ethyl-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942804

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942743) is 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(N3CCOCC3)nn2c1=O)N1CCCC1.
What is the InChIKey of 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JLTOSNGXRMYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c20-11(17-3-1-2-4-17)10-9-15-13-19(12(10)21)16-14(23-13)18-5-7-22-8-6-18/h9H,1-8H2.
What are the key properties of 2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-morpholin-4-yl-6-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.39 g/mol, XLogP of 0.22, 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-(pyrrolidine-1-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).