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

C17H16F3N3OS — CID 10215687

IUPAC(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESFC(F)(F)c1ncc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C17H16F3N3OS/c18-17(19,20)15-22-8-13(25-15)11-5-10-6-16(24-14(10)21-7-11)9-23-3-1-12(16)2-4-23/h5,7-8,12H,1-4,6,9H2/t16-/m0/s1
InChIKeyMFKLMAUXODZWDR-INIZCTEOSA-N
MW367.40 g/mol
LogP3.62
Rot. Bonds1

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

(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 10215687) has the molecular formula C17H16F3N3OS and a molecular weight of 367.40 g/mol. Its IUPAC name is (3R)-5'-[2-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID10215687
Molecular FormulaC17H16F3N3OS
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESFC(F)(F)c1ncc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C17H16F3N3OS/c18-17(19,20)15-22-8-13(25-15)11-5-10-6-16(24-14(10)21-7-11)9-23-3-1-12(16)2-4-23/h5,7-8,12H,1-4,6,9H2/t16-/m0/s1
InChIKeyMFKLMAUXODZWDR-INIZCTEOSA-N
XLogP3.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246214
(3R)-5'-[5-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)thiophen-2-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 67220859
(3R)-5'-(5-chlorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246215
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11404096
(3R)-5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 58925144
5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]furan-2-carbaldehyde
CID 59560532
(3S)-5'-morpholin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 18719784
N-benzyl-N-(111C)methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 11279070
1-phenyl-3-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-ylurea
CID 10020783
3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol
CID 23595083
7'-bromo-5'-(3H-indol-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-1-benzofuran]
CID 11246835
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
CID 114026517

Frequently Asked Questions

What is the IUPAC name of (3R)-5'-[2-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 10215687) is (3R)-5'-[2-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is FC(F)(F)c1ncc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1.
What is the InChIKey of (3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is MFKLMAUXODZWDR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16F3N3OS/c18-17(19,20)15-22-8-13(25-15)11-5-10-6-16(24-14(10)21-7-11)9-23-3-1-12(16)2-4-23/h5,7-8,12H,1-4,6,9H2/t16-/m0/s1.
What are the key properties of (3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-[2-(trifluoromethyl)-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 367.40 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-[2-(trifluoromethyl)-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 10215687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).