7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H13N3O2S — CID 2549305

IUPAC7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCOCC2)nc2sccn12
InChIInChI=1S/C11H13N3O2S/c15-10-7-9(8-13-1-4-16-5-2-13)12-11-14(10)3-6-17-11/h3,6-7H,1-2,4-5,8H2
InChIKeyYMYRPLBFFUOPSA-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.59
Rot. Bonds2

About 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2549305) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2549305
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCOCC2)nc2sccn12
InChIInChI=1S/C11H13N3O2S/c15-10-7-9(8-13-1-4-16-5-2-13)12-11-14(10)3-6-17-11/h3,6-7H,1-2,4-5,8H2
InChIKeyYMYRPLBFFUOPSA-UHFFFAOYSA-N
XLogP0.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2549305) is 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCOCC2)nc2sccn12.
What is the InChIKey of 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YMYRPLBFFUOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-10-7-9(8-13-1-4-16-5-2-13)12-11-14(10)3-6-17-11/h3,6-7H,1-2,4-5,8H2.
What are the key properties of 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 251.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).