N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine

C16H20N6OS — CID 123764481

IUPACN-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
SMILESCc1ncc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2n1
InChIInChI=1S/C16H20N6OS/c1-10-18-8-12-13(19-10)24-15(20-12)21-14-17-5-4-16(23-14)9-22-6-2-11(16)3-7-22/h8,11H,2-7,9H2,1H3,(H,17,20,21)
InChIKeyDBNWIOQAGYZBSG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.05
Rot. Bonds1

About N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine

N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine (PubChem CID 123764481) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine.

Molecular Properties

Compound NameN-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
PubChem CID123764481
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
SMILESCc1ncc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2n1
InChIInChI=1S/C16H20N6OS/c1-10-18-8-12-13(19-10)24-15(20-12)21-14-17-5-4-16(23-14)9-22-6-2-11(16)3-7-22/h8,11H,2-7,9H2,1H3,(H,17,20,21)
InChIKeyDBNWIOQAGYZBSG-UHFFFAOYSA-N
XLogP2.05
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine with MolForge

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Related Compounds

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
N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
CID 72709934
(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
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
N-(4-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 134155582
(3R)-N-(6-methylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088264
N-(6,8-dimethylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663400
N-(5-bromo-6-chloropyrazin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 75954292
N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[4H-1,3-oxazole-5,4'-6-azatricyclo[4.2.0.01,3]octane]-2-amine
CID 123904311
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
(3R)-N-(6-chloro-1-methylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286586
N-([1,3]oxazolo[4,5-b]pyridin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663423

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
The IUPAC name of N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine (CID 123764481) is N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine.
What is the SMILES notation for N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
The canonical SMILES for N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine is Cc1ncc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2n1.
What is the InChIKey of N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
The InChIKey is DBNWIOQAGYZBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10-18-8-12-13(19-10)24-15(20-12)21-14-17-5-4-16(23-14)9-22-6-2-11(16)3-7-22/h8,11H,2-7,9H2,1H3,(H,17,20,21).
What are the key properties of N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine?
N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine has a molecular weight of 344.44 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine is sourced from PubChem (CID 123764481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).