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

C7H14Cl2N4S — CID 75480928

IUPAC2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride
SMILESCc1nnc(N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C7H12N4S.2ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;;/h8H,2-5H2,1H3;2*1H
InChIKeyHIUYWQFEHUHGGO-UHFFFAOYSA-N
MW257.19 g/mol
LogP1.10
Rot. Bonds1

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

2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride (PubChem CID 75480928) has the molecular formula C7H14Cl2N4S and a molecular weight of 257.19 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride
PubChem CID75480928
Molecular FormulaC7H14Cl2N4S
Molecular Weight257.19 g/mol
Exact Mass256.03
IUPAC Name2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride
SMILESCc1nnc(N2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C7H12N4S.2ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;;/h8H,2-5H2,1H3;2*1H
InChIKeyHIUYWQFEHUHGGO-UHFFFAOYSA-N
XLogP1.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.10
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;dihydrochloride?
The IUPAC name of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride (CID 75480928) is 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride is Cc1nnc(N2CCNCC2)s1.Cl.Cl.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride?
The InChIKey is HIUYWQFEHUHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S.2ClH/c1-6-9-10-7(12-6)11-4-2-8-3-5-11;;/h8H,2-5H2,1H3;2*1H.
What are the key properties of 2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride?
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;dihydrochloride has a molecular weight of 257.19 g/mol, XLogP of 1.10, 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;dihydrochloride is sourced from PubChem (CID 75480928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).