2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

C12H16F3N3S — CID 169105104

IUPAC2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCC3(CC2)CNC3)n1
InChIInChI=1S/C12H16F3N3S/c13-12(14,15)9-6-19-10(17-9)5-18-3-1-11(2-4-18)7-16-8-11/h6,16H,1-5,7-8H2
InChIKeyOIAIUSHXNVEASW-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.35
Rot. Bonds2

About 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 169105104) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID169105104
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC Name2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(CN2CCC3(CC2)CNC3)n1
InChIInChI=1S/C12H16F3N3S/c13-12(14,15)9-6-19-10(17-9)5-18-3-1-11(2-4-18)7-16-8-11/h6,16H,1-5,7-8H2
InChIKeyOIAIUSHXNVEASW-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 169105104) is 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(CN2CCC3(CC2)CNC3)n1.
What is the InChIKey of 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OIAIUSHXNVEASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c13-12(14,15)9-6-19-10(17-9)5-18-3-1-11(2-4-18)7-16-8-11/h6,16H,1-5,7-8H2.
What are the key properties of 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 291.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 169105104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).