ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine

C10H20N4S — CID 123668036

IUPACethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCC.Cc1nsc(N2CCC(N)CC2)n1
InChIInChI=1S/C8H14N4S.C2H6/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12;1-2/h7H,2-5,9H2,1H3;1-2H3
InChIKeyDITAHCOUAVOBBM-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.80
Rot. Bonds1

About ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine

ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (PubChem CID 123668036) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound Nameethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
PubChem CID123668036
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Nameethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
SMILESCC.Cc1nsc(N2CCC(N)CC2)n1
InChIInChI=1S/C8H14N4S.C2H6/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12;1-2/h7H,2-5,9H2,1H3;1-2H3
InChIKeyDITAHCOUAVOBBM-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 18999097
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 71996531
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 75356316
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The IUPAC name of ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine (CID 123668036) is ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine.
What is the SMILES notation for ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The canonical SMILES for ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is CC.Cc1nsc(N2CCC(N)CC2)n1.
What is the InChIKey of ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
The InChIKey is DITAHCOUAVOBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S.C2H6/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12;1-2/h7H,2-5,9H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine?
ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine has a molecular weight of 228.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 123668036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).