(3R)-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

C15H18N6O2S — CID 58088027

IUPAC(3R)-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
SMILESCOc1ncc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2n1
InChIInChI=1S/C15H18N6O2S/c1-22-12-16-6-10-11(19-12)24-14(18-10)20-13-17-7-15(23-13)8-21-4-2-9(15)3-5-21/h6,9H,2-5,7-8H2,1H3,(H,17,18,20)/t15-/m0/s1
InChIKeyDGEIXJTUYSVCBC-HNNXBMFYSA-N
MW346.42 g/mol
LogP1.36
Rot. Bonds2

About (3R)-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

(3R)-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 (PubChem CID 58088027) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (3R)-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.

Molecular Properties

Compound Name(3R)-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
PubChem CID58088027
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(3R)-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
SMILESCOc1ncc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2n1
InChIInChI=1S/C15H18N6O2S/c1-22-12-16-6-10-11(19-12)24-14(18-10)20-13-17-7-15(23-13)8-21-4-2-9(15)3-5-21/h6,9H,2-5,7-8H2,1H3,(H,17,18,20)/t15-/m0/s1
InChIKeyDGEIXJTUYSVCBC-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-(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 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 (3R)-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?
The IUPAC name of (3R)-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 58088027) is (3R)-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.
What is the SMILES notation for (3R)-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?
The canonical SMILES for (3R)-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 is COc1ncc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2n1.
What is the InChIKey of (3R)-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?
The InChIKey is DGEIXJTUYSVCBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-22-12-16-6-10-11(19-12)24-14(18-10)20-13-17-7-15(23-13)8-21-4-2-9(15)3-5-21/h6,9H,2-5,7-8H2,1H3,(H,17,18,20)/t15-/m0/s1.
What are the key properties of (3R)-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?
(3R)-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 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-(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 is sourced from PubChem (CID 58088027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).