tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate

C15H26N4O2S — CID 133429984

IUPACtert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate
SMILESCCc1nsc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-6-12-16-13(22-17-12)18(5)11-7-9-19(10-8-11)14(20)21-15(2,3)4/h11H,6-10H2,1-5H3
InChIKeyMOWJPRFJEZVLKW-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate

tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate (PubChem CID 133429984) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate
PubChem CID133429984
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Nametert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate
SMILESCCc1nsc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-6-12-16-13(22-17-12)18(5)11-7-9-19(10-8-11)14(20)21-15(2,3)4/h11H,6-10H2,1-5H3
InChIKeyMOWJPRFJEZVLKW-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
tert-butyl N-methyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]carbamate
CID 71871152
tert-butyl (1R,4R)-5-(3-methyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 15813427
tert-butyl (1S,4S)-5-(3-methyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 15813428
Tert-butyl 5-(3-methyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 18999104
[1-(3-Methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-carbamic acid tert-butyl ester
CID 58398025
Tert-butyl 3-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-carboxylate
CID 66762121
tert-butyl (1S)-5-(3-methyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67783298
tert-butyl (1R)-5-(3-methyl-1,2,4-thiadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67783542
Tert-butyl 1-(3-isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89543407
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
CID 123912494
Tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 141188005

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate (CID 133429984) is tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate is CCc1nsc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate?
The InChIKey is MOWJPRFJEZVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-6-12-16-13(22-17-12)18(5)11-7-9-19(10-8-11)14(20)21-15(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate has a molecular weight of 326.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 133429984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).