(3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

C17H19N3OS — CID 10215057

IUPAC(3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESCc1ncc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C17H19N3OS/c1-11-18-9-15(22-11)13-6-12-7-17(21-16(12)19-8-13)10-20-4-2-14(17)3-5-20/h6,8-9,14H,2-5,7,10H2,1H3/t17-/m0/s1
InChIKeyIAADVLIGDRQHCI-KRWDZBQOSA-N
MW313.43 g/mol
LogP2.91
Rot. Bonds1

About (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

(3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 10215057) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID10215057
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESCc1ncc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C17H19N3OS/c1-11-18-9-15(22-11)13-6-12-7-17(21-16(12)19-8-13)10-20-4-2-14(17)3-5-20/h6,8-9,14H,2-5,7,10H2,1H3/t17-/m0/s1
InChIKeyIAADVLIGDRQHCI-KRWDZBQOSA-N
XLogP2.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 10215057) is (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is Cc1ncc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1.
What is the InChIKey of (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is IAADVLIGDRQHCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-18-9-15(22-11)13-6-12-7-17(21-16(12)19-8-13)10-20-4-2-14(17)3-5-20/h6,8-9,14H,2-5,7,10H2,1H3/t17-/m0/s1.
What are the key properties of (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 313.43 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-(2-methyl-1,3-thiazol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 10215057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).