2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

C11H13F3N2S — CID 171704149

IUPAC2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2C3CCC2CC3)n1
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)9-6-17-10(15-9)5-16-7-1-2-8(16)4-3-7/h6-8H,1-5H2
InChIKeyVITYRWJTLNPCAL-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.29
Rot. Bonds2

About 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171704149) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171704149
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2C3CCC2CC3)n1
InChIInChI=1S/C11H13F3N2S/c12-11(13,14)9-6-17-10(15-9)5-16-7-1-2-8(16)4-3-7/h6-8H,1-5H2
InChIKeyVITYRWJTLNPCAL-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 134507404
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 67357137
2-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994
methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 99822543
(6S)-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydroindazol-6-ol
CID 164629881
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171704300
tert-butyl 4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate
CID 171701266
2-methyl-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 71844755
2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 170071453
2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile
CID 91662082
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971329

Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 171704149) is 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CN2C3CCC2CC3)n1.
What is the InChIKey of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VITYRWJTLNPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c12-11(13,14)9-6-17-10(15-9)5-16-7-1-2-8(16)4-3-7/h6-8H,1-5H2.
What are the key properties of 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 262.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171704149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).