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

C13H22N4O2S — CID 58398025

IUPACtert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate
SMILESCc1nsc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-9-14-11(20-16-9)17-7-5-10(6-8-17)15-12(18)19-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,18)
InChIKeyORVGIPBIVHWVDN-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.34
Rot. Bonds2

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

tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate (PubChem CID 58398025) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate
PubChem CID58398025
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Nametert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate
SMILESCc1nsc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2S/c1-9-14-11(20-16-9)17-7-5-10(6-8-17)15-12(18)19-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,18)
InChIKeyORVGIPBIVHWVDN-UHFFFAOYSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate (CID 58398025) is tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate is Cc1nsc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
The InChIKey is ORVGIPBIVHWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-14-11(20-16-9)17-7-5-10(6-8-17)15-12(18)19-13(2,3)4/h10H,5-8H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate has a molecular weight of 298.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 58398025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).