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

C14H24N4O2S — CID 133320734

IUPACtert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate
SMILESCc1nsc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-10-15-12(21-16-10)18-8-6-11(7-9-18)17(5)13(19)20-14(2,3)4/h11H,6-9H2,1-5H3
InChIKeyXGLSORPRVQTJGE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.68
Rot. Bonds2

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

tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate (PubChem CID 133320734) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate
PubChem CID133320734
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nametert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate
SMILESCc1nsc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-10-15-12(21-16-10)18-8-6-11(7-9-18)17(5)13(19)20-14(2,3)4/h11H,6-9H2,1-5H3
InChIKeyXGLSORPRVQTJGE-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.68
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-(dimethylamino)-1,2,4-thiadiazol-5-yl)piperidin-4-ylcarbamate
CID 89542692
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate (CID 133320734) is tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate is Cc1nsc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
The InChIKey is XGLSORPRVQTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10-15-12(21-16-10)18-8-6-11(7-9-18)17(5)13(19)20-14(2,3)4/h11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate has a molecular weight of 312.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 133320734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).