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

C7H12ClN3S — CID 154866063

IUPAC2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride
SMILESCl.c1nnc(C2CCCNC2)s1
InChIInChI=1S/C7H11N3S.ClH/c1-2-6(4-8-3-1)7-10-9-5-11-7;/h5-6,8H,1-4H2;1H
InChIKeyPBSDIIIKXNJVLX-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.43
Rot. Bonds1

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

2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride (PubChem CID 154866063) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride
PubChem CID154866063
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride
SMILESCl.c1nnc(C2CCCNC2)s1
InChIInChI=1S/C7H11N3S.ClH/c1-2-6(4-8-3-1)7-10-9-5-11-7;/h5-6,8H,1-4H2;1H
InChIKeyPBSDIIIKXNJVLX-UHFFFAOYSA-N
XLogP1.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride (CID 154866063) is 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride is Cl.c1nnc(C2CCCNC2)s1.
What is the InChIKey of 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
The InChIKey is PBSDIIIKXNJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c1-2-6(4-8-3-1)7-10-9-5-11-7;/h5-6,8H,1-4H2;1H.
What are the key properties of 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride?
2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 154866063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).