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

C14H17N5O3S — CID 20942831

IUPAC6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCOCC1
InChIInChI=1S/C14H17N5O3S/c20-11(17-5-7-22-8-6-17)10-9-15-13-19(12(10)21)16-14(23-13)18-3-1-2-4-18/h9H,1-8H2
InChIKeyFZBYNBUVGDRPBE-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.22
Rot. Bonds2

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

6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942831) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942831
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCOCC1
InChIInChI=1S/C14H17N5O3S/c20-11(17-5-7-22-8-6-17)10-9-15-13-19(12(10)21)16-14(23-13)18-3-1-2-4-18/h9H,1-8H2
InChIKeyFZBYNBUVGDRPBE-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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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942831) is 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCOCC1.
What is the InChIKey of 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FZBYNBUVGDRPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c20-11(17-5-7-22-8-6-17)10-9-15-13-19(12(10)21)16-14(23-13)18-3-1-2-4-18/h9H,1-8H2.
What are the key properties of 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[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 6-(morpholine-4-carbonyl)-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).