3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane

C11H14F3N3O2S — CID 102930543

IUPAC3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1nnc(OC2COC3(CCNCC3)C2)s1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-16-17-9(20-8)19-7-5-10(18-6-7)1-3-15-4-2-10/h7,15H,1-6H2
InChIKeyHDAPPRYIIUTFHJ-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.85
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane

3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930543) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930543
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1nnc(OC2COC3(CCNCC3)C2)s1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-16-17-9(20-8)19-7-5-10(18-6-7)1-3-15-4-2-10/h7,15H,1-6H2
InChIKeyHDAPPRYIIUTFHJ-UHFFFAOYSA-N
XLogP1.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane 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

3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930637
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
5-(1-oxaspiro[4.4]nonan-3-yloxy)-1,3,4-thiadiazol-2-amine
CID 166163188
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930090
3-(1-methyltetrazol-5-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930419
3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 102930556
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
CID 102930669
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-2-carboxamide
CID 102930635
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
3-(tetrazolo[1,5-a]pyrazin-5-yloxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930442

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930543) is 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)c1nnc(OC2COC3(CCNCC3)C2)s1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is HDAPPRYIIUTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)8-16-17-9(20-8)19-7-5-10(18-6-7)1-3-15-4-2-10/h7,15H,1-6H2.
What are the key properties of 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane?
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 309.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).