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

C7H13Cl2N3S — CID 146154966

IUPAC2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride
SMILESCl.Cl.c1nnc(C2CCNCC2)s1
InChIInChI=1S/C7H11N3S.2ClH/c1-3-8-4-2-6(1)7-10-9-5-11-7;;/h5-6,8H,1-4H2;2*1H
InChIKeyDUOCJUCLHLHCJV-UHFFFAOYSA-N
MW242.17 g/mol
LogP1.85
Rot. Bonds1

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

2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride (PubChem CID 146154966) has the molecular formula C7H13Cl2N3S and a molecular weight of 242.17 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride
PubChem CID146154966
Molecular FormulaC7H13Cl2N3S
Molecular Weight242.17 g/mol
Exact Mass241.02
IUPAC Name2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride
SMILESCl.Cl.c1nnc(C2CCNCC2)s1
InChIInChI=1S/C7H11N3S.2ClH/c1-3-8-4-2-6(1)7-10-9-5-11-7;;/h5-6,8H,1-4H2;2*1H
InChIKeyDUOCJUCLHLHCJV-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride?
The IUPAC name of 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride (CID 146154966) is 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride?
The canonical SMILES for 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride is Cl.Cl.c1nnc(C2CCNCC2)s1.
What is the InChIKey of 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride?
The InChIKey is DUOCJUCLHLHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.2ClH/c1-3-8-4-2-6(1)7-10-9-5-11-7;;/h5-6,8H,1-4H2;2*1H.
What are the key properties of 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride?
2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride has a molecular weight of 242.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3,4-thiadiazole;dihydrochloride is sourced from PubChem (CID 146154966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).