[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone

C13H21N5OS — CID 119894196

IUPAC[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCc1nsc(N2CCN(C(=O)C3CCCNC3)CC2)n1
InChIInChI=1S/C13H21N5OS/c1-10-15-13(20-16-10)18-7-5-17(6-8-18)12(19)11-3-2-4-14-9-11/h11,14H,2-9H2,1H3
InChIKeyGLNCAEYBUFQWST-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.49
Rot. Bonds2

About [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone

[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119894196) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID119894196
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCc1nsc(N2CCN(C(=O)C3CCCNC3)CC2)n1
InChIInChI=1S/C13H21N5OS/c1-10-15-13(20-16-10)18-7-5-17(6-8-18)12(19)11-3-2-4-14-9-11/h11,14H,2-9H2,1H3
InChIKeyGLNCAEYBUFQWST-UHFFFAOYSA-N
XLogP0.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cycloheptyl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 71926251
(3-aminocyclohexyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 119894220
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 120637568
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone
CID 119899809
[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434757
piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119863925
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanone
CID 171992743
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119894225
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone (CID 119894196) is [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone is Cc1nsc(N2CCN(C(=O)C3CCCNC3)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is GLNCAEYBUFQWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-10-15-13(20-16-10)18-7-5-17(6-8-18)12(19)11-3-2-4-14-9-11/h11,14H,2-9H2,1H3.
What are the key properties of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone?
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 295.41 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119894196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).