3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C15H20N6O2S — CID 66724626

IUPAC3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCOc1ncnc2sc(N3CC4(CN5CCC4CC5)OC3N)nc12
InChIInChI=1S/C15H20N6O2S/c1-22-11-10-12(18-8-17-11)24-14(19-10)21-7-15(23-13(21)16)6-20-4-2-9(15)3-5-20/h8-9,13H,2-7,16H2,1H3
InChIKeyNDQAUPWKCQMSBE-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.64
Rot. Bonds2

About 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 66724626) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID66724626
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCOc1ncnc2sc(N3CC4(CN5CCC4CC5)OC3N)nc12
InChIInChI=1S/C15H20N6O2S/c1-22-11-10-12(18-8-17-11)24-14(19-10)21-7-15(23-13(21)16)6-20-4-2-9(15)3-5-20/h8-9,13H,2-7,16H2,1H3
InChIKeyNDQAUPWKCQMSBE-UHFFFAOYSA-N
XLogP0.64
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 66724626) is 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is COc1ncnc2sc(N3CC4(CN5CCC4CC5)OC3N)nc12.
What is the InChIKey of 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is NDQAUPWKCQMSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-22-11-10-12(18-8-17-11)24-14(19-10)21-7-15(23-13(21)16)6-20-4-2-9(15)3-5-20/h8-9,13H,2-7,16H2,1H3.
What are the key properties of 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 348.43 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 66724626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).