7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H17N3O2S — CID 2998063

IUPAC7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(Cc2cc(=O)n3ccsc3n2)CC(C)O1
InChIInChI=1S/C13H17N3O2S/c1-9-6-15(7-10(2)18-9)8-11-5-12(17)16-3-4-19-13(16)14-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeySSKDEIZZNPPARC-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.37
Rot. Bonds2

About 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2998063) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2998063
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(Cc2cc(=O)n3ccsc3n2)CC(C)O1
InChIInChI=1S/C13H17N3O2S/c1-9-6-15(7-10(2)18-9)8-11-5-12(17)16-3-4-19-13(16)14-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeySSKDEIZZNPPARC-UHFFFAOYSA-N
XLogP1.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2998063) is 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CN(Cc2cc(=O)n3ccsc3n2)CC(C)O1.
What is the InChIKey of 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SSKDEIZZNPPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-6-15(7-10(2)18-9)8-11-5-12(17)16-3-4-19-13(16)14-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethylmorpholin-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2998063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).