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

C9H16N4S — CID 3044804

IUPAC2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCc1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C9H16N4S/c1-3-8-10-11-9(14-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyLEGYAURSCWXDFF-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.85
Rot. Bonds2

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

2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 3044804) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID3044804
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCc1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C9H16N4S/c1-3-8-10-11-9(14-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyLEGYAURSCWXDFF-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.85
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
2-(4-Ethyl-1,4-diazepan-1-yl)-5-propyl-1,3,4-thiadiazole
CID 71916774
N,5-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 125527689
N,N,N'-trimethyl-N'-[1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 129607983
4-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-1,2,2-trimethylpiperazine
CID 129616924
1-(Propan-2-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
CID 59332252
2-(2-Fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 91185687
2-(4-(2-Fluoroethyl)piperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121020691
2-[3-Methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
2-Methyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133431567
2-Tert-butyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133431648
2-[3-Methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 133431666

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole (CID 3044804) is 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole is CCc1nnc(N2CCN(C)CC2)s1.
What is the InChIKey of 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is LEGYAURSCWXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-3-8-10-11-9(14-8)13-6-4-12(2)5-7-13/h3-7H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 3044804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).