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

C17H25N3O3S — CID 16868407

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C17H25N3O3S/c1-4-5-13-6-16(22)20-14(10-24-17(20)18-13)7-15(21)19-8-11(2)23-12(3)9-19/h6,11-12,14H,4-5,7-10H2,1-3H3
InChIKeyQCHZPZRWOWHYAM-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.87
Rot. Bonds4

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

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16868407) 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-propyl-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-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16868407
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C17H25N3O3S/c1-4-5-13-6-16(22)20-14(10-24-17(20)18-13)7-15(21)19-8-11(2)23-12(3)9-19/h6,11-12,14H,4-5,7-10H2,1-3H3
InChIKeyQCHZPZRWOWHYAM-UHFFFAOYSA-N
XLogP1.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.87
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-propyl-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-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16868407) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propyl-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-propyl-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-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=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-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QCHZPZRWOWHYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-5-13-6-16(22)20-14(10-24-17(20)18-13)7-15(21)19-8-11(2)23-12(3)9-19/h6,11-12,14H,4-5,7-10H2,1-3H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 351.47 g/mol, XLogP of 1.87, 4 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-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16868407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).