3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride

C8H12ClN3S — CID 141119354

IUPAC3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride
SMILESC(=C1CCCCN1)c1cnsn1.Cl
InChIInChI=1S/C8H11N3S.ClH/c1-2-4-9-7(3-1)5-8-6-10-12-11-8;/h5-6,9H,1-4H2;1H
InChIKeyWCGAMKTXFZKZLL-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.07
Rot. Bonds1

About 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride

3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride (PubChem CID 141119354) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride.

Molecular Properties

Compound Name3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride
PubChem CID141119354
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride
SMILESC(=C1CCCCN1)c1cnsn1.Cl
InChIInChI=1S/C8H11N3S.ClH/c1-2-4-9-7(3-1)5-8-6-10-12-11-8;/h5-6,9H,1-4H2;1H
InChIKeyWCGAMKTXFZKZLL-UHFFFAOYSA-N
XLogP2.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride?
The IUPAC name of 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride (CID 141119354) is 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride.
What is the SMILES notation for 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride?
The canonical SMILES for 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride is C(=C1CCCCN1)c1cnsn1.Cl.
What is the InChIKey of 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride?
The InChIKey is WCGAMKTXFZKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S.ClH/c1-2-4-9-7(3-1)5-8-6-10-12-11-8;/h5-6,9H,1-4H2;1H.
What are the key properties of 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride?
3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylidenemethyl)-1,2,5-thiadiazole;hydrochloride is sourced from PubChem (CID 141119354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).