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

C15H19N7OS — CID 72709417

IUPAC7-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
SMILESCOc1ncnc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc12
InChIInChI=1S/C15H19N7OS/c1-23-11-10-12(18-8-17-11)24-14(19-10)20-13-16-6-15(21-13)7-22-4-2-9(15)3-5-22/h8-9H,2-7H2,1H3,(H2,16,19,20,21)
InChIKeyUIEWDUFXWUCJFI-UHFFFAOYSA-N
MW345.43 g/mol
LogP0.93
Rot. Bonds2

About 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

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 (PubChem CID 72709417) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID72709417
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name7-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
SMILESCOc1ncnc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc12
InChIInChI=1S/C15H19N7OS/c1-23-11-10-12(18-8-17-11)24-14(19-10)20-13-16-6-15(21-13)7-22-4-2-9(15)3-5-22/h8-9H,2-7H2,1H3,(H2,16,19,20,21)
InChIKeyUIEWDUFXWUCJFI-UHFFFAOYSA-N
XLogP0.93
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncnc2sc(NC3=NCC4(CN5CCC4CC5)N3)nc12.
What is the InChIKey of 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?
The InChIKey is UIEWDUFXWUCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-23-11-10-12(18-8-17-11)24-14(19-10)20-13-16-6-15(21-13)7-22-4-2-9(15)3-5-22/h8-9H,2-7H2,1H3,(H2,16,19,20,21).
What are the key properties of 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?
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 has a molecular weight of 345.43 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 72709417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).