tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate

C15H26N4O2S — CID 71920272

IUPACtert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
SMILESCc1nsc(N2CCCC(C(C)NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-10(16-14(20)21-15(3,4)5)12-7-6-8-19(9-12)13-17-11(2)18-22-13/h10,12H,6-9H2,1-5H3,(H,16,20)
InChIKeyIMWRVFXRVLEJJP-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate

tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate (PubChem CID 71920272) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
PubChem CID71920272
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
SMILESCc1nsc(N2CCCC(C(C)NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H26N4O2S/c1-10(16-14(20)21-15(3,4)5)12-7-6-8-19(9-12)13-17-11(2)18-22-13/h10,12H,6-9H2,1-5H3,(H,16,20)
InChIKeyIMWRVFXRVLEJJP-UHFFFAOYSA-N
XLogP2.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate
CID 86625483
Tert-butyl 1-(3-(dimethylamino)-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89542692
Tert-butyl 1-(3-chloro-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89542803
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-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
CID 137379562
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 N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate (CID 71920272) is tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate is Cc1nsc(N2CCCC(C(C)NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
The InChIKey is IMWRVFXRVLEJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10(16-14(20)21-15(3,4)5)12-7-6-8-19(9-12)13-17-11(2)18-22-13/h10,12H,6-9H2,1-5H3,(H,16,20).
What are the key properties of tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate has a molecular weight of 326.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 71920272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).