2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole

C19H20F3N5OS — CID 66748506

IUPAC2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFC(F)(F)Oc1cccc(-c2cn3nc(N4CCC5(CCNC5)CC4)sc3n2)c1
InChIInChI=1S/C19H20F3N5OS/c20-19(21,22)28-14-3-1-2-13(10-14)15-11-27-16(24-15)29-17(25-27)26-8-5-18(6-9-26)4-7-23-12-18/h1-3,10-11,23H,4-9,12H2
InChIKeyICXZLIDYBVVBCQ-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.94
Rot. Bonds3

About 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole

2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 66748506) has the molecular formula C19H20F3N5OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID66748506
Molecular FormulaC19H20F3N5OS
Molecular Weight423.46 g/mol
Exact Mass423.13
IUPAC Name2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFC(F)(F)Oc1cccc(-c2cn3nc(N4CCC5(CCNC5)CC4)sc3n2)c1
InChIInChI=1S/C19H20F3N5OS/c20-19(21,22)28-14-3-1-2-13(10-14)15-11-27-16(24-15)29-17(25-27)26-8-5-18(6-9-26)4-7-23-12-18/h1-3,10-11,23H,4-9,12H2
InChIKeyICXZLIDYBVVBCQ-UHFFFAOYSA-N
XLogP3.94
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 66748506) is 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole is FC(F)(F)Oc1cccc(-c2cn3nc(N4CCC5(CCNC5)CC4)sc3n2)c1.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ICXZLIDYBVVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c20-19(21,22)28-14-3-1-2-13(10-14)15-11-27-16(24-15)29-17(25-27)26-8-5-18(6-9-26)4-7-23-12-18/h1-3,10-11,23H,4-9,12H2.
What are the key properties of 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 423.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 66748506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).