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

C17H25N3O3S — CID 16868597

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC(C)O1
InChIInChI=1S/C17H25N3O3S/c1-10(2)14-6-16(22)20-13(9-24-17(20)18-14)5-15(21)19-7-11(3)23-12(4)8-19/h6,10-13H,5,7-9H2,1-4H3
InChIKeyDXYSJVJARQLNGW-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.04
Rot. Bonds3

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

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868597) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868597
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC(C)O1
InChIInChI=1S/C17H25N3O3S/c1-10(2)14-6-16(22)20-13(9-24-17(20)18-14)5-15(21)19-7-11(3)23-12(4)8-19/h6,10-13H,5,7-9H2,1-4H3
InChIKeyDXYSJVJARQLNGW-UHFFFAOYSA-N
XLogP2.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868597) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-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-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CN(C(=O)CC2CSc3nc(C(C)C)cc(=O)n32)CC(C)O1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DXYSJVJARQLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-10(2)14-6-16(22)20-13(9-24-17(20)18-14)5-15(21)19-7-11(3)23-12(4)8-19/h6,10-13H,5,7-9H2,1-4H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 351.47 g/mol, XLogP of 2.04, 3 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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).