2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

C13H18F3N3S — CID 170071453

IUPAC2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCCC3(CC2)CNC3)n1
InChIInChI=1S/C13H18F3N3S/c14-13(15,16)10-7-20-11(18-10)6-19-4-1-2-12(3-5-19)8-17-9-12/h7,17H,1-6,8-9H2
InChIKeyHYASJARZBISNFK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.74
Rot. Bonds2

About 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 170071453) has the molecular formula C13H18F3N3S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID170071453
Molecular FormulaC13H18F3N3S
Molecular Weight305.37 g/mol
Exact Mass305.12
IUPAC Name2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCCC3(CC2)CNC3)n1
InChIInChI=1S/C13H18F3N3S/c14-13(15,16)10-7-20-11(18-10)6-19-4-1-2-12(3-5-19)8-17-9-12/h7,17H,1-6,8-9H2
InChIKeyHYASJARZBISNFK-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171704300
4-tert-butyl-2-(1,4-diazepan-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 119906320
2-methyl-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 71844755
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 171704149
tert-butyl 4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxylate
CID 171701266
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 113343942
4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171130407
2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171334425
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103748001
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 67357137
2-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 170071453) is 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CN2CCCC3(CC2)CNC3)n1.
What is the InChIKey of 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HYASJARZBISNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S/c14-13(15,16)10-7-20-11(18-10)6-19-4-1-2-12(3-5-19)8-17-9-12/h7,17H,1-6,8-9H2.
What are the key properties of 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 305.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[3.6]decan-8-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 170071453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).