2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride

C8H14ClN3S — CID 91812493

IUPAC2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(C2CCCNC2)s1.Cl
InChIInChI=1S/C8H13N3S.ClH/c1-6-10-11-8(12-6)7-3-2-4-9-5-7;/h7,9H,2-5H2,1H3;1H
InChIKeyRWKZYXUTOVGCAR-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride

2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride (PubChem CID 91812493) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride
PubChem CID91812493
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC Name2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(C2CCCNC2)s1.Cl
InChIInChI=1S/C8H13N3S.ClH/c1-6-10-11-8(12-6)7-3-2-4-9-5-7;/h7,9H,2-5H2,1H3;1H
InChIKeyRWKZYXUTOVGCAR-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride (CID 91812493) is 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride is Cc1nnc(C2CCCNC2)s1.Cl.
What is the InChIKey of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
The InChIKey is RWKZYXUTOVGCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.ClH/c1-6-10-11-8(12-6)7-3-2-4-9-5-7;/h7,9H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 91812493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).