tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate

C15H24N4O2S — CID 137379562

IUPACtert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
SMILESCc1nsc(N2CC3CCC(C2)C3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H24N4O2S/c1-9-16-13(22-18-9)19-7-10-5-6-11(8-19)12(10)17-14(20)21-15(2,3)4/h10-12H,5-8H2,1-4H3,(H,17,20)
InChIKeyAQJBFBVPUAOWSU-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate

tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (PubChem CID 137379562) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
PubChem CID137379562
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Nametert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
SMILESCc1nsc(N2CC3CCC(C2)C3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H24N4O2S/c1-9-16-13(22-18-9)19-7-10-5-6-11(8-19)12(10)17-14(20)21-15(2,3)4/h10-12H,5-8H2,1-4H3,(H,17,20)
InChIKeyAQJBFBVPUAOWSU-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 71920272
[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-carbamic acid tert-butyl ester
CID 58398025
Tert-butyl 1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89543407
tert-butyl N-[6,6-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)azepan-4-yl]carbamate
CID 123617245
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
CID 123912494
[3-(3-Methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamic acid
CID 129216793
tert-butyl N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 146383648
tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 153326809
tert-butyl N-[(1S,5R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 156470533
tert-butyl N-[1-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]hexan-3-yl]carbamate
CID 164040255
tert-butyl N-[(1R)-1-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 97074386
tert-butyl N-[(1R)-1-[(3R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 97074387

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (CID 137379562) is tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate is Cc1nsc(N2CC3CCC(C2)C3NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
The InChIKey is AQJBFBVPUAOWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-9-16-13(22-18-9)19-7-10-5-6-11(8-19)12(10)17-14(20)21-15(2,3)4/h10-12H,5-8H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate has a molecular weight of 324.45 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate is sourced from PubChem (CID 137379562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).