2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole

C17H19ClN2OS — CID 118305558

IUPAC2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2cnc(O[C@H]3CCN4CCCC3C4)s2)cc1
InChIInChI=1S/C17H19ClN2OS/c18-14-5-3-12(4-6-14)16-10-19-17(22-16)21-15-7-9-20-8-1-2-13(15)11-20/h3-6,10,13,15H,1-2,7-9,11H2/t13?,15-/m0/s1
InChIKeyUTYVTJPDRLTRQU-WUJWULDRSA-N
MW334.87 g/mol
LogP4.33
Rot. Bonds3

About 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole

2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole (PubChem CID 118305558) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole
PubChem CID118305558
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2cnc(O[C@H]3CCN4CCCC3C4)s2)cc1
InChIInChI=1S/C17H19ClN2OS/c18-14-5-3-12(4-6-14)16-10-19-17(22-16)21-15-7-9-20-8-1-2-13(15)11-20/h3-6,10,13,15H,1-2,7-9,11H2/t13?,15-/m0/s1
InChIKeyUTYVTJPDRLTRQU-WUJWULDRSA-N
XLogP4.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole with MolForge

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Related Compounds

4-[5-(1-azabicyclo[3.3.1]nonan-4-yloxy)-1,3,4-thiadiazol-2-yl]phenol
CID 136954202
(4S,5S)-4-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
CID 11594725
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 70025854
4-[[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]oxy]-1-azabicyclo[3.3.1]nonane
CID 66920896
5-[2-(1-azabicyclo[3.3.1]nonan-4-yloxy)pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 66679030
methane;4-(6-methylpyrazin-2-yl)oxy-1-azabicyclo[3.3.1]nonane
CID 118305615
4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]oxy-1-azabicyclo[3.3.1]nonane
CID 66920778
(3R)-3-[5-(3-chlorophenyl)pyrimidin-2-yl]oxy-1-azabicyclo[2.2.2]octane
CID 68810032
2-(1,4-diazabicyclo[4.3.1]decan-4-yl)-5-(3-fluorophenyl)-1,3-thiazole
CID 87338709
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
5-(4-chlorophenyl)-2-propan-2-yl-1,3-thiazole
CID 126761413
2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-pyridin-2-yl-1,3-thiazole
CID 90993377

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole (CID 118305558) is 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole is Clc1ccc(-c2cnc(O[C@H]3CCN4CCCC3C4)s2)cc1.
What is the InChIKey of 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is UTYVTJPDRLTRQU-WUJWULDRSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-14-5-3-12(4-6-14)16-10-19-17(22-16)21-15-7-9-20-8-1-2-13(15)11-20/h3-6,10,13,15H,1-2,7-9,11H2/t13?,15-/m0/s1.
What are the key properties of 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole?
2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 334.87 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-1-azabicyclo[3.3.1]nonan-4-yl]oxy]-5-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 118305558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).