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

C9H17ClN4S — CID 166761027

IUPAC1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(N2CCCCC2)ns1.Cl
InChIInChI=1S/C9H16N4S.ClH/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13;/h7H,2-6,10H2,1H3;1H
InChIKeyQSWKXVPNCZGRNN-UHFFFAOYSA-N
MW248.78 g/mol
LogP1.97
Rot. Bonds2

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

1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 166761027) has the molecular formula C9H17ClN4S and a molecular weight of 248.78 g/mol. Its IUPAC name is 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
PubChem CID166761027
Molecular FormulaC9H17ClN4S
Molecular Weight248.78 g/mol
Exact Mass248.09
IUPAC Name1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(N2CCCCC2)ns1.Cl
InChIInChI=1S/C9H16N4S.ClH/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13;/h7H,2-6,10H2,1H3;1H
InChIKeyQSWKXVPNCZGRNN-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride (CID 166761027) is 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride is CC(N)c1nc(N2CCCCC2)ns1.Cl.
What is the InChIKey of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is QSWKXVPNCZGRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S.ClH/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13;/h7H,2-6,10H2,1H3;1H.
What are the key properties of 1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride?
1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 248.78 g/mol, XLogP of 1.97, 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;hydrochloride is sourced from PubChem (CID 166761027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).