2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole

C13H19N3OS — CID 126954273

IUPAC2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
SMILESCN1C2CCC1CC(Oc1nnc(C3CC3)s1)C2
InChIInChI=1S/C13H19N3OS/c1-16-9-4-5-10(16)7-11(6-9)17-13-15-14-12(18-13)8-2-3-8/h8-11H,2-7H2,1H3
InChIKeyQTADJOTVWKLHQL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.42
Rot. Bonds3

About 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole

2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole (PubChem CID 126954273) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
PubChem CID126954273
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
SMILESCN1C2CCC1CC(Oc1nnc(C3CC3)s1)C2
InChIInChI=1S/C13H19N3OS/c1-16-9-4-5-10(16)7-11(6-9)17-13-15-14-12(18-13)8-2-3-8/h8-11H,2-7H2,1H3
InChIKeyQTADJOTVWKLHQL-UHFFFAOYSA-N
XLogP2.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
CID 66908980
2-(3-chloro-4-fluorophenyl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
CID 66909001
2-(1-benzothiophen-5-yl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
CID 66908971
(E)-but-2-enedioic acid;2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 66908959
(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane
CID 14575207
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
(E)-but-2-enedioic acid;2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 67153023
2-(1H-indol-5-yl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole;bis(4-methylbenzenesulfonic acid)
CID 87200098
3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
CID 68943596
8-methyl-3-(4-methylpyrimidin-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 126954192
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 66933157
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052792

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole (CID 126954273) is 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole is CN1C2CCC1CC(Oc1nnc(C3CC3)s1)C2.
What is the InChIKey of 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole?
The InChIKey is QTADJOTVWKLHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16-9-4-5-10(16)7-11(6-9)17-13-15-14-12(18-13)8-2-3-8/h8-11H,2-7H2,1H3.
What are the key properties of 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole?
2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole has a molecular weight of 265.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole is sourced from PubChem (CID 126954273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).