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

C16H21N5O3S — CID 20942692

IUPAC2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(c2nn3c(=O)c(C(=O)N4CCOCC4)cnc3s2)CC1
InChIInChI=1S/C16H21N5O3S/c1-11-2-4-20(5-3-11)16-18-21-14(23)12(10-17-15(21)25-16)13(22)19-6-8-24-9-7-19/h10-11H,2-9H2,1H3
InChIKeyYAMUCUVFLWTHAY-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.86
Rot. Bonds2

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

2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942692) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942692
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(c2nn3c(=O)c(C(=O)N4CCOCC4)cnc3s2)CC1
InChIInChI=1S/C16H21N5O3S/c1-11-2-4-20(5-3-11)16-18-21-14(23)12(10-17-15(21)25-16)13(22)19-6-8-24-9-7-19/h10-11H,2-9H2,1H3
InChIKeyYAMUCUVFLWTHAY-UHFFFAOYSA-N
XLogP0.86
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942692) is 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC1CCN(c2nn3c(=O)c(C(=O)N4CCOCC4)cnc3s2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YAMUCUVFLWTHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-11-2-4-20(5-3-11)16-18-21-14(23)12(10-17-15(21)25-16)13(22)19-6-8-24-9-7-19/h10-11H,2-9H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 363.44 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-6-(morpholine-4-carbonyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).