tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate

C12H20N4O2S — CID 171661387

IUPACtert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nsc(N)n2)C1
InChIInChI=1S/C12H20N4O2S/c1-12(2,3)18-11(17)16-6-4-5-8(7-16)9-14-10(13)19-15-9/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyRXLRRVUWXYAYJI-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate

tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate (PubChem CID 171661387) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
PubChem CID171661387
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Nametert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nsc(N)n2)C1
InChIInChI=1S/C12H20N4O2S/c1-12(2,3)18-11(17)16-6-4-5-8(7-16)9-14-10(13)19-15-9/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyRXLRRVUWXYAYJI-UHFFFAOYSA-N
XLogP2.23
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
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
[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 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 3-(1,2,4-thiadiazol-5-yl)piperidine-1-carboxylate
CID 132081853
Tert-butyl 4-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 141188005
1-[4-(5-Amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone
CID 141188013
Tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
CID 155943867
Tert-butyl 6-[(5-amino-1,2,4-thiadiazol-3-yl)methyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 168205127
Tert-butyl 3-(5-iodo-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
CID 171659826

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate (CID 171661387) is tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2nsc(N)n2)C1.
What is the InChIKey of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RXLRRVUWXYAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-12(2,3)18-11(17)16-6-4-5-8(7-16)9-14-10(13)19-15-9/h8H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171661387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).