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

C16H20N6OS — CID 141251305

IUPAC7-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
SMILESCOc1ncnc2sc(NC3=CC[C@@]4(CN5CCC4CC5)N3)nc12
InChIInChI=1S/C16H20N6OS/c1-23-13-12-14(18-9-17-13)24-15(20-12)19-11-2-5-16(21-11)8-22-6-3-10(16)4-7-22/h2,9-10,21H,3-8H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyUOFIBQLYJRDZBK-INIZCTEOSA-N
MW344.44 g/mol
LogP1.81
Rot. Bonds3

About 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

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 (PubChem CID 141251305) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID141251305
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name7-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
SMILESCOc1ncnc2sc(NC3=CC[C@@]4(CN5CCC4CC5)N3)nc12
InChIInChI=1S/C16H20N6OS/c1-23-13-12-14(18-9-17-13)24-15(20-12)19-11-2-5-16(21-11)8-22-6-3-10(16)4-7-22/h2,9-10,21H,3-8H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyUOFIBQLYJRDZBK-INIZCTEOSA-N
XLogP1.81
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncnc2sc(NC3=CC[C@@]4(CN5CCC4CC5)N3)nc12.
What is the InChIKey of 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?
The InChIKey is UOFIBQLYJRDZBK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-23-13-12-14(18-9-17-13)24-15(20-12)19-11-2-5-16(21-11)8-22-6-3-10(16)4-7-22/h2,9-10,21H,3-8H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 344.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141251305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).