7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H15N3O2S — CID 17467898

IUPAC7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(Cc2cc(=O)n3ccsc3n2)CCO1
InChIInChI=1S/C12H15N3O2S/c1-9-7-14(2-4-17-9)8-10-6-11(16)15-3-5-18-12(15)13-10/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyFMKWERZPOQLXLF-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.98
Rot. Bonds2

About 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17467898) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17467898
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(Cc2cc(=O)n3ccsc3n2)CCO1
InChIInChI=1S/C12H15N3O2S/c1-9-7-14(2-4-17-9)8-10-6-11(16)15-3-5-18-12(15)13-10/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyFMKWERZPOQLXLF-UHFFFAOYSA-N
XLogP0.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17467898) is 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CN(Cc2cc(=O)n3ccsc3n2)CCO1.
What is the InChIKey of 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FMKWERZPOQLXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-7-14(2-4-17-9)8-10-6-11(16)15-3-5-18-12(15)13-10/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 265.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17467898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).