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

C16H23N3O3S — CID 16868977

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)N1CC(C)OC(C)C1)CS2
InChIInChI=1S/C16H23N3O3S/c1-9-6-18(7-10(2)22-9)14(20)5-13-8-23-16-17-12(4)11(3)15(21)19(13)16/h9-10,13H,5-8H2,1-4H3
InChIKeyAHIJJMHOTRVHFD-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.53
Rot. Bonds2

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

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868977) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868977
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)N1CC(C)OC(C)C1)CS2
InChIInChI=1S/C16H23N3O3S/c1-9-6-18(7-10(2)22-9)14(20)5-13-8-23-16-17-12(4)11(3)15(21)19(13)16/h9-10,13H,5-8H2,1-4H3
InChIKeyAHIJJMHOTRVHFD-UHFFFAOYSA-N
XLogP1.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.53
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]-6,7-dimethyl-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]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868977) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-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]-6,7-dimethyl-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]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1C)C(CC(=O)N1CC(C)OC(C)C1)CS2.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AHIJJMHOTRVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-9-6-18(7-10(2)22-9)14(20)5-13-8-23-16-17-12(4)11(3)15(21)19(13)16/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.45 g/mol, XLogP of 1.53, 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]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).