2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole

C26H24F6N2OS — CID 87950360

IUPAC2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(C2CC3(c4ccccc4)NC2CCC3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C26H24F6N2OS/c1-15-14-36-23(33-15)20-12-24(17-5-3-2-4-6-17)22(8-7-21(20)34-24)35-13-16-9-18(25(27,28)29)11-19(10-16)26(30,31)32/h2-6,9-11,14,20-22,34H,7-8,12-13H2,1H3
InChIKeyNSAJOTAHZPZQLC-UHFFFAOYSA-N
MW526.55 g/mol
LogP7.21
Rot. Bonds5

About 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole

2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole (PubChem CID 87950360) has the molecular formula C26H24F6N2OS and a molecular weight of 526.55 g/mol. Its IUPAC name is 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole
PubChem CID87950360
Molecular FormulaC26H24F6N2OS
Molecular Weight526.55 g/mol
Exact Mass526.15
IUPAC Name2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(C2CC3(c4ccccc4)NC2CCC3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C26H24F6N2OS/c1-15-14-36-23(33-15)20-12-24(17-5-3-2-4-6-17)22(8-7-21(20)34-24)35-13-16-9-18(25(27,28)29)11-19(10-16)26(30,31)32/h2-6,9-11,14,20-22,34H,7-8,12-13H2,1H3
InChIKeyNSAJOTAHZPZQLC-UHFFFAOYSA-N
XLogP7.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.55
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 44211408
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 20722871
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 20722881
2-[[(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 54255391
2-[[(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 54525998
4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 57282317
4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole;dihydrochloride
CID 88410310
2-[(1R,2R,5S,6R)-8-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole
CID 140049143
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 140448216
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 140448223
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 140448258
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenyl-8-azabicyclo[3.2.1]octane-6-carboxamide
CID 140448260

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole (CID 87950360) is 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole is Cc1csc(C2CC3(c4ccccc4)NC2CCC3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole?
The InChIKey is NSAJOTAHZPZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N2OS/c1-15-14-36-23(33-15)20-12-24(17-5-3-2-4-6-17)22(8-7-21(20)34-24)35-13-16-9-18(25(27,28)29)11-19(10-16)26(30,31)32/h2-6,9-11,14,20-22,34H,7-8,12-13H2,1H3.
What are the key properties of 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole?
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole has a molecular weight of 526.55 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octan-6-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 87950360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).