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

C8H16Cl2N4S — CID 67344281

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride
SMILESCc1nsc(N2CCC(N)CC2)n1.Cl.Cl
InChIInChI=1S/C8H14N4S.2ClH/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12;;/h7H,2-5,9H2,1H3;2*1H
InChIKeyMDSALHUGABSVRL-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.62
Rot. Bonds1

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride (PubChem CID 67344281) has the molecular formula C8H16Cl2N4S and a molecular weight of 271.22 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride
PubChem CID67344281
Molecular FormulaC8H16Cl2N4S
Molecular Weight271.22 g/mol
Exact Mass270.05
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride
SMILESCc1nsc(N2CCC(N)CC2)n1.Cl.Cl
InChIInChI=1S/C8H14N4S.2ClH/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12;;/h7H,2-5,9H2,1H3;2*1H
InChIKeyMDSALHUGABSVRL-UHFFFAOYSA-N
XLogP1.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride (CID 67344281) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride is Cc1nsc(N2CCC(N)CC2)n1.Cl.Cl.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is MDSALHUGABSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S.2ClH/c1-6-10-8(13-11-6)12-4-2-7(9)3-5-12;;/h7H,2-5,9H2,1H3;2*1H.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride?
1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 271.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 67344281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).