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

C7H13ClN4S — CID 169312225

IUPAC2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(N2CCNCC2)s1.Cl
InChIInChI=1S/C7H12N4S.ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKeyQNSYMOIBHDJNBZ-UHFFFAOYSA-N
MW220.73 g/mol
LogP0.68
Rot. Bonds1

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

2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride (PubChem CID 169312225) has the molecular formula C7H13ClN4S and a molecular weight of 220.73 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
PubChem CID169312225
Molecular FormulaC7H13ClN4S
Molecular Weight220.73 g/mol
Exact Mass220.05
IUPAC Name2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
SMILESCc1nnc(N2CCNCC2)s1.Cl
InChIInChI=1S/C7H12N4S.ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H
InChIKeyQNSYMOIBHDJNBZ-UHFFFAOYSA-N
XLogP0.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.73
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride (CID 169312225) is 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride is Cc1nnc(N2CCNCC2)s1.Cl.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride?
The InChIKey is QNSYMOIBHDJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S.ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;/h8H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride?
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride has a molecular weight of 220.73 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 169312225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).