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

C15H21N3O3S — CID 16867884

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H21N3O3S/c1-9-4-14(20)18-12(8-22-15(18)16-9)5-13(19)17-6-10(2)21-11(3)7-17/h4,10-12H,5-8H2,1-3H3
InChIKeyFWTVZNHPMVFDEI-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.22
Rot. Bonds2

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

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867884) 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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867884
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H21N3O3S/c1-9-4-14(20)18-12(8-22-15(18)16-9)5-13(19)17-6-10(2)21-11(3)7-17/h4,10-12H,5-8H2,1-3H3
InChIKeyFWTVZNHPMVFDEI-UHFFFAOYSA-N
XLogP1.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867726
7-methyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867873
6-Methyl-3-(2-morpholino-2-oxoethyl)-1-thia-3a,7-diaza-4-indanone
CID 16867883
N-(3-isopropoxypropyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867905
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-(propan-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16868597
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867727
3-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868011
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
6,7-dimethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868976
6-Methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44044832
N,N-diethyl-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867865
7-methyl-3-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867874

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867884) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-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]-7-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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FWTVZNHPMVFDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-4-14(20)18-12(8-22-15(18)16-9)5-13(19)17-6-10(2)21-11(3)7-17/h4,10-12H,5-8H2,1-3H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-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]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).