6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H19N3O3S2 — CID 126470040

IUPAC6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H19N3O3S2/c1-4-22-12-11(14(20)18-5-6-23-15(18)16-12)13(19)17-7-9(2)21-10(3)8-17/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyIEBSEHCRFNDOMK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.12
Rot. Bonds3

About 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126470040) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126470040
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nc2sccn2c(=O)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H19N3O3S2/c1-4-22-12-11(14(20)18-5-6-23-15(18)16-12)13(19)17-7-9(2)21-10(3)8-17/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyIEBSEHCRFNDOMK-UHFFFAOYSA-N
XLogP2.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126470040) is 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCSc1nc2sccn2c(=O)c1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IEBSEHCRFNDOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-4-22-12-11(14(20)18-5-6-23-15(18)16-12)13(19)17-7-9(2)21-10(3)8-17/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 353.47 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholine-4-carbonyl)-7-ethylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126470040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).