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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Related Compounds

1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 2146069
2-Piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 2146068
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazine
CID 11171390
2-(2-Fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 91185687
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558
2-(4-Methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 3433177
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride
CID 75481478
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606940
N'-(2,2-difluoroethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
CID 107494032
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494235
2-[4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanamine
CID 113586940
N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449894

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).