2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole

C18H15F3N6OS — CID 166104982

IUPAC2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(OCC2C3CN(c4cncc(-c5nncs5)n4)CC23)n1
InChIInChI=1S/C18H15F3N6OS/c19-18(20,21)14-2-1-3-16(25-14)28-8-12-10-6-27(7-11(10)12)15-5-22-4-13(24-15)17-26-23-9-29-17/h1-5,9-12H,6-8H2
InChIKeyBZBPXAUTMOWDPY-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.17
Rot. Bonds5

About 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole

2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole (PubChem CID 166104982) has the molecular formula C18H15F3N6OS and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole
PubChem CID166104982
Molecular FormulaC18H15F3N6OS
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC Name2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(OCC2C3CN(c4cncc(-c5nncs5)n4)CC23)n1
InChIInChI=1S/C18H15F3N6OS/c19-18(20,21)14-2-1-3-16(25-14)28-8-12-10-6-27(7-11(10)12)15-5-22-4-13(24-15)17-26-23-9-29-17/h1-5,9-12H,6-8H2
InChIKeyBZBPXAUTMOWDPY-UHFFFAOYSA-N
XLogP3.17
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-[6-[(3S)-3-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]pyrazin-2-yl]-1,3,4-thiadiazole
CID 174214063
5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine
CID 166104524
5-[6-[(3,5-difluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyrazine
CID 166104324
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
CID 126874767
2-[(5-chlorothiophen-2-yl)methoxy]-6-(trifluoromethyl)pyridine
CID 75427115
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
1-[4-[1-methyl-5-[(1S,5R)-6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]imidazo[4,5-b]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 166105299
(3aR,4S,5S,6aS)-5-imidazol-1-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 54672903
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 54675119
3-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-one
CID 135265126
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 97338117

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole (CID 166104982) is 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole is FC(F)(F)c1cccc(OCC2C3CN(c4cncc(-c5nncs5)n4)CC23)n1.
What is the InChIKey of 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole?
The InChIKey is BZBPXAUTMOWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6OS/c19-18(20,21)14-2-1-3-16(25-14)28-8-12-10-6-27(7-11(10)12)15-5-22-4-13(24-15)17-26-23-9-29-17/h1-5,9-12H,6-8H2.
What are the key properties of 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole?
2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole has a molecular weight of 420.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 166104982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).