(3R)-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

C16H20N6O2S — CID 58088130

IUPAC(3R)-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
SMILESCOc1nc(C)nc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12
InChIInChI=1S/C16H20N6O2S/c1-9-18-12(23-2)11-13(19-9)25-15(20-11)21-14-17-7-16(24-14)8-22-5-3-10(16)4-6-22/h10H,3-8H2,1-2H3,(H,17,20,21)/t16-/m0/s1
InChIKeyPCLVDKIBTLXQTR-INIZCTEOSA-N
MW360.44 g/mol
LogP1.67
Rot. Bonds2

About (3R)-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

(3R)-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 (PubChem CID 58088130) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (3R)-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.

Molecular Properties

Compound Name(3R)-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
PubChem CID58088130
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name(3R)-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
SMILESCOc1nc(C)nc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12
InChIInChI=1S/C16H20N6O2S/c1-9-18-12(23-2)11-13(19-9)25-15(20-11)21-14-17-7-16(24-14)8-22-5-3-10(16)4-6-22/h10H,3-8H2,1-2H3,(H,17,20,21)/t16-/m0/s1
InChIKeyPCLVDKIBTLXQTR-INIZCTEOSA-N
XLogP1.67
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-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 with MolForge

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Related Compounds

(R)-N-(7-methoxythiazolo[5,4-d]pyrimidin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
CID 58088223
3-(7-Methoxy-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724571
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
7-methoxy-N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 72709417
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-(7-methoxy-[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 76663441
7-methoxy-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 141251305
7-methoxy-5-methyl-N-[(2R)-spiro[1,3-dihydropyrrole-2,3'-1-azabicyclo[2.2.2]octane]-5-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 141251357
(5R)-3-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
CID 142706488
[1-[1-[(7-Methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 151089338
1-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[(3R)-3-methyl-1-azabicyclo[2.2.2]octan-3-yl]methyl]urea
CID 157468679
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-N'-methylcarbamimidate
CID 163725028

Frequently Asked Questions

What is the IUPAC name of (3R)-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?
The IUPAC name of (3R)-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 58088130) is (3R)-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.
What is the SMILES notation for (3R)-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?
The canonical SMILES for (3R)-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 is COc1nc(C)nc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12.
What is the InChIKey of (3R)-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?
The InChIKey is PCLVDKIBTLXQTR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-9-18-12(23-2)11-13(19-9)25-15(20-11)21-14-17-7-16(24-14)8-22-5-3-10(16)4-6-22/h10H,3-8H2,1-2H3,(H,17,20,21)/t16-/m0/s1.
What are the key properties of (3R)-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?
(3R)-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 has a molecular weight of 360.44 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-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 is sourced from PubChem (CID 58088130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).