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

C17H23N3O3S — CID 126470473

IUPAC3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(C(=O)c2cnc3scc(C(C)(C)C)n3c2=O)CC(C)O1
InChIInChI=1S/C17H23N3O3S/c1-10-7-19(8-11(2)23-10)14(21)12-6-18-16-20(15(12)22)13(9-24-16)17(3,4)5/h6,9-11H,7-8H2,1-5H3
InChIKeyZQCROXFGBPGFFA-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.30
Rot. Bonds1

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

3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126470473) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126470473
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(C(=O)c2cnc3scc(C(C)(C)C)n3c2=O)CC(C)O1
InChIInChI=1S/C17H23N3O3S/c1-10-7-19(8-11(2)23-10)14(21)12-6-18-16-20(15(12)22)13(9-24-16)17(3,4)5/h6,9-11H,7-8H2,1-5H3
InChIKeyZQCROXFGBPGFFA-UHFFFAOYSA-N
XLogP2.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126470473) is 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CN(C(=O)c2cnc3scc(C(C)(C)C)n3c2=O)CC(C)O1.
What is the InChIKey of 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZQCROXFGBPGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-10-7-19(8-11(2)23-10)14(21)12-6-18-16-20(15(12)22)13(9-24-16)17(3,4)5/h6,9-11H,7-8H2,1-5H3.
What are the key properties of 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 349.46 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2,6-dimethylmorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126470473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).