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

C14H19N3O3S — CID 16867727

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(C(=O)CC2CSc3nccc(=O)n32)CC(C)O1
InChIInChI=1S/C14H19N3O3S/c1-9-6-16(7-10(2)20-9)13(19)5-11-8-21-14-15-4-3-12(18)17(11)14/h3-4,9-11H,5-8H2,1-2H3
InChIKeyCEHKDKGCFYOZBU-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.92
Rot. Bonds2

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

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867727) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867727
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(C(=O)CC2CSc3nccc(=O)n32)CC(C)O1
InChIInChI=1S/C14H19N3O3S/c1-9-6-16(7-10(2)20-9)13(19)5-11-8-21-14-15-4-3-12(18)17(11)14/h3-4,9-11H,5-8H2,1-2H3
InChIKeyCEHKDKGCFYOZBU-UHFFFAOYSA-N
XLogP0.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.92
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
6-Methyl-3-(2-morpholino-2-oxoethyl)-1-thia-3a,7-diaza-4-indanone
CID 16867883
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-(4-Methylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16867728
N-(3-isopropoxypropyl)-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867748
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
6-(2,6-Dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470040
6-(2,6-Dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293963
N-butyl-N-methyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867712
3-(2-oxo-2-(piperidin-1-yl)ethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16867716

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-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]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867727) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-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]-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]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CN(C(=O)CC2CSc3nccc(=O)n32)CC(C)O1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CEHKDKGCFYOZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-6-16(7-10(2)20-9)13(19)5-11-8-21-14-15-4-3-12(18)17(11)14/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 309.39 g/mol, XLogP of 0.92, 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]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).