(3R)-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

C15H18N6O2S — CID 58088223

IUPAC(3R)-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
SMILESCOc1ncnc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12
InChIInChI=1S/C15H18N6O2S/c1-22-11-10-12(18-8-17-11)24-14(19-10)20-13-16-6-15(23-13)7-21-4-2-9(15)3-5-21/h8-9H,2-7H2,1H3,(H,16,19,20)/t15-/m0/s1
InChIKeyWSHYYBDHEUCZAU-HNNXBMFYSA-N
MW346.42 g/mol
LogP1.36
Rot. Bonds2

About (3R)-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

(3R)-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 (PubChem CID 58088223) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (3R)-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.

Molecular Properties

Compound Name(3R)-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
PubChem CID58088223
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(3R)-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
SMILESCOc1ncnc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12
InChIInChI=1S/C15H18N6O2S/c1-22-11-10-12(18-8-17-11)24-14(19-10)20-13-16-6-15(23-13)7-21-4-2-9(15)3-5-21/h8-9H,2-7H2,1H3,(H,16,19,20)/t15-/m0/s1
InChIKeyWSHYYBDHEUCZAU-HNNXBMFYSA-N
XLogP1.36
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-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 with MolForge

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

Launch Full Analysis

Related Compounds

(R)-N-(5-methoxythiazolo[5,4-d]pyrimidin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
CID 58088027
(R)-N-(7-methoxy-5-methylthiazolo[5,4-d]pyrimidin-2-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
CID 58088130
4-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 59011930
[1-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
CID 59011963
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-(5-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 76663394
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
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
CID 141189614
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

Frequently Asked Questions

What is the IUPAC name of (3R)-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?
The IUPAC name of (3R)-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 58088223) is (3R)-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.
What is the SMILES notation for (3R)-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?
The canonical SMILES for (3R)-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 is COc1ncnc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12.
What is the InChIKey of (3R)-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?
The InChIKey is WSHYYBDHEUCZAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-22-11-10-12(18-8-17-11)24-14(19-10)20-13-16-6-15(23-13)7-21-4-2-9(15)3-5-21/h8-9H,2-7H2,1H3,(H,16,19,20)/t15-/m0/s1.
What are the key properties of (3R)-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?
(3R)-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 has a molecular weight of 346.42 g/mol, XLogP of 1.36, 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-[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 58088223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).