2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide

C13H22N4OS — CID 133485154

IUPAC2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
SMILESCC(C)Cc1nsc(N2CCCC(CC(N)=O)C2)n1
InChIInChI=1S/C13H22N4OS/c1-9(2)6-12-15-13(19-16-12)17-5-3-4-10(8-17)7-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)
InChIKeyRICORWMIVPSBOH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide

2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide (PubChem CID 133485154) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
PubChem CID133485154
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
SMILESCC(C)Cc1nsc(N2CCCC(CC(N)=O)C2)n1
InChIInChI=1S/C13H22N4OS/c1-9(2)6-12-15-13(19-16-12)17-5-3-4-10(8-17)7-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)
InChIKeyRICORWMIVPSBOH-UHFFFAOYSA-N
XLogP1.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133493059
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
CID 133484390
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 124508353
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
CID 65276254
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide (CID 133485154) is 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide is CC(C)Cc1nsc(N2CCCC(CC(N)=O)C2)n1.
What is the InChIKey of 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide?
The InChIKey is RICORWMIVPSBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)6-12-15-13(19-16-12)17-5-3-4-10(8-17)7-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18).
What are the key properties of 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide?
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 133485154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).