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

C15H21N3O3S — CID 16868042

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

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868042) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 16868042
• Molecular Formula: C15H21N3O3S
• Molecular Weight: 323.42 g/mol
• Exact Mass: 323.13
• IUPAC Name: 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: Cc1cnc2n(c1=O)C(CC(=O)N1CC(C)OC(C)C1)CS2
• InChI: InChI=1S/C15H21N3O3S/c1-9-5-16-15-18(14(9)20)12(8-22-15)4-13(19)17-6-10(2)21-11(3)7-17/h5,10-12H,4,6-8H2,1-3H3
• InChIKey: OTILSKIDNHDXCL-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.42
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868042) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cnc2n(c1=O)C(CC(=O)N1CC(C)OC(C)C1)CS2.

What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is OTILSKIDNHDXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-5-16-15-18(14(9)20)12(8-22-15)4-13(19)17-6-10(2)21-11(3)7-17/h5,10-12H,4,6-8H2,1-3H3.

What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 323.42 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).