(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]

C15H19N5O2S — CID 142706488

IUPAC(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]
SMILESCOc1ncnc2sc(N3CO[C@]4(CN5CCC4CC5)C3)nc12
InChIInChI=1S/C15H19N5O2S/c1-21-12-11-13(17-8-16-12)23-14(18-11)20-7-15(22-9-20)6-19-4-2-10(15)3-5-19/h8,10H,2-7,9H2,1H3/t15-/m1/s1
InChIKeyAVVPGBCABZHIRR-OAHLLOKOSA-N
MW333.42 g/mol
LogP1.35
Rot. Bonds2

About (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]

(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] (PubChem CID 142706488) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (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].

Molecular Properties

Compound Name(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]
PubChem CID142706488
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(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]
SMILESCOc1ncnc2sc(N3CO[C@]4(CN5CCC4CC5)C3)nc12
InChIInChI=1S/C15H19N5O2S/c1-21-12-11-13(17-8-16-12)23-14(18-11)20-7-15(22-9-20)6-19-4-2-10(15)3-5-19/h8,10H,2-7,9H2,1H3/t15-/m1/s1
InChIKeyAVVPGBCABZHIRR-OAHLLOKOSA-N
XLogP1.35
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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]?
The IUPAC name of (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) is (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].
What is the SMILES notation for (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]?
The canonical SMILES for (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] is COc1ncnc2sc(N3CO[C@]4(CN5CCC4CC5)C3)nc12.
What is the InChIKey of (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]?
The InChIKey is AVVPGBCABZHIRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-21-12-11-13(17-8-16-12)23-14(18-11)20-7-15(22-9-20)6-19-4-2-10(15)3-5-19/h8,10H,2-7,9H2,1H3/t15-/m1/s1.
What are the key properties of (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]?
(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] has a molecular weight of 333.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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] is sourced from PubChem (CID 142706488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).