1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine

C9H16N4S — CID 166760974

IUPAC1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCC(N)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3
InChIKeyXVYVLNBCDIZERF-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.55
Rot. Bonds2

About 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine

1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 166760974) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID166760974
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCC(N)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3
InChIKeyXVYVLNBCDIZERF-UHFFFAOYSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304476
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
CID 107304491
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304492
N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304779
N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304804
N-(1-piperidin-1-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304839

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine (CID 166760974) is 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine is CC(N)c1nc(N2CCCCC2)ns1.
What is the InChIKey of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is XVYVLNBCDIZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3.
What are the key properties of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 166760974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).