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

C15H28N4O2S — CID 123912494

IUPACtert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
SMILESCC.Cc1nsc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2S.C2H6/c1-9-14-11(20-16-9)17-7-5-10(6-8-17)15-12(18)19-13(2,3)4;1-2/h10H,5-8H2,1-4H3,(H,15,18);1-2H3
InChIKeyMEVKJIPNCVLNSX-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.37
Rot. Bonds2

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

tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane (PubChem CID 123912494) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
PubChem CID123912494
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Nametert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane
SMILESCC.Cc1nsc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C13H22N4O2S.C2H6/c1-9-14-11(20-16-9)17-7-5-10(6-8-17)15-12(18)19-13(2,3)4;1-2/h10H,5-8H2,1-4H3,(H,15,18);1-2H3
InChIKeyMEVKJIPNCVLNSX-UHFFFAOYSA-N
XLogP3.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
tert-butyl N-[1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethyl]carbamate
CID 71920272
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
Ethyl 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxylate
CID 107304691
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 (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-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamate
CID 86625483

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;ethane?
The IUPAC name of tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane (CID 123912494) is tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane is CC.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;ethane?
The InChIKey is MEVKJIPNCVLNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.C2H6/c1-9-14-11(20-16-9)17-7-5-10(6-8-17)15-12(18)19-13(2,3)4;1-2/h10H,5-8H2,1-4H3,(H,15,18);1-2H3.
What are the key properties of tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane?
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]carbamate;ethane has a molecular weight of 328.48 g/mol, XLogP of 3.37, 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;ethane is sourced from PubChem (CID 123912494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).