2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole

C8H14N4S — CID 58668540

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C8H14N4S/c1-7-9-10-8(13-7)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyBGLLTMHYYINISR-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.60
Rot. Bonds1

About 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole

2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 58668540) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID58668540
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C8H14N4S/c1-7-9-10-8(13-7)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyBGLLTMHYYINISR-UHFFFAOYSA-N
XLogP0.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine, 1-methyl-4-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
CID 748107
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 86769314
Piperazine, 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-
CID 3044804
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazine dihydrochloride
CID 75480928
N,5-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 125527689
4-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-1,2,2-trimethylpiperazine
CID 129616924
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazine
CID 11171390
1-(Propan-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
CID 59332252
2-[4-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]acetonitrile
CID 114449531
2-(4-(2-Fluoroethyl)piperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121020691
2-Methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133431567
N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 133492289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole (CID 58668540) is 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole is Cc1nnc(N2CCN(C)CC2)s1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is BGLLTMHYYINISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-7-9-10-8(13-7)12-5-3-11(2)4-6-12/h3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 198.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 58668540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).