2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole

C17H20N2S — CID 11630592

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole
SMILESCN1C2CCC1CC(c1ncc(-c3ccccc3)s1)C2
InChIInChI=1S/C17H20N2S/c1-19-14-7-8-15(19)10-13(9-14)17-18-11-16(20-17)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3
InChIKeyYISXSTWECOJSAD-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.15
Rot. Bonds2

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole (PubChem CID 11630592) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole
PubChem CID11630592
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole
SMILESCN1C2CCC1CC(c1ncc(-c3ccccc3)s1)C2
InChIInChI=1S/C17H20N2S/c1-19-14-7-8-15(19)10-13(9-14)17-18-11-16(20-17)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3
InChIKeyYISXSTWECOJSAD-UHFFFAOYSA-N
XLogP4.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5-phenyl-1,3-thiazole
CID 10524711
5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,3-thiazole
CID 16747877
5-(4-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-thiazole
CID 16748007
5-(4-fluorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-thiazole
CID 16748382
5-(3-bromophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-thiazole
CID 16748731
2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5-(4-fluorophenyl)-1,3-thiazole
CID 16748848
2-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-5-(3,4-dichlorophenyl)-1,3-thiazole
CID 16748949
5-(4-chlorophenyl)-2-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,3-thiazole
CID 16748950
(2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-thiazol-2-yl)-8-aza-bicyclo[3.2.1]octane
CID 44326194
Dimethyl-[2-(5-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374227
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 118190177
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 118190302

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole (CID 11630592) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole is CN1C2CCC1CC(c1ncc(-c3ccccc3)s1)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole?
The InChIKey is YISXSTWECOJSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-19-14-7-8-15(19)10-13(9-14)17-18-11-16(20-17)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3.
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole has a molecular weight of 284.43 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 11630592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).