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

C16H21N5O2S — CID 57486195

IUPAC3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCOc1ccc2nc(N3CC4(CN5CCC4CC5)OC3N)sc2n1
InChIInChI=1S/C16H21N5O2S/c1-22-12-3-2-11-13(19-12)24-15(18-11)21-9-16(23-14(21)17)8-20-6-4-10(16)5-7-20/h2-3,10,14H,4-9,17H2,1H3
InChIKeyRUJSMTSJHIFPJY-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.24
Rot. Bonds2

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

3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 57486195) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID57486195
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCOc1ccc2nc(N3CC4(CN5CCC4CC5)OC3N)sc2n1
InChIInChI=1S/C16H21N5O2S/c1-22-12-3-2-11-13(19-12)24-15(18-11)21-9-16(23-14(21)17)8-20-6-4-10(16)5-7-20/h2-3,10,14H,4-9,17H2,1H3
InChIKeyRUJSMTSJHIFPJY-UHFFFAOYSA-N
XLogP1.24
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724611
3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 68635284
3-(5-chloroisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724751
3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724782
N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088161
(3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134145411
1-[5-(4-methoxyphenoxy)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 150952386
(3S)-7'-methylspiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 121320555
N-(7-methoxy-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663419
2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine
CID 143883411
2-methyl-2,4-ditritiospiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 88622566
5-fluoro-N-(1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 72709498

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 57486195) is 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is COc1ccc2nc(N3CC4(CN5CCC4CC5)OC3N)sc2n1.
What is the InChIKey of 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is RUJSMTSJHIFPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-22-12-3-2-11-13(19-12)24-15(18-11)21-9-16(23-14(21)17)8-20-6-4-10(16)5-7-20/h2-3,10,14H,4-9,17H2,1H3.
What are the key properties of 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 347.44 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 57486195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).