3,4-diethylpiperazine-1-carbothiohydrazide;ethane

C11H26N4S — CID 145256013

IUPAC3,4-diethylpiperazine-1-carbothiohydrazide;ethane
SMILESCC.CCC1CN(C(=S)NN)CCN1CC
InChIInChI=1S/C9H20N4S.C2H6/c1-3-8-7-13(9(14)11-10)6-5-12(8)4-2;1-2/h8H,3-7,10H2,1-2H3,(H,11,14);1-2H3
InChIKeyISOUGZWNAWJKMB-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.18
Rot. Bonds2

About 3,4-diethylpiperazine-1-carbothiohydrazide;ethane

3,4-diethylpiperazine-1-carbothiohydrazide;ethane (PubChem CID 145256013) has the molecular formula C11H26N4S and a molecular weight of 246.42 g/mol. Its IUPAC name is 3,4-diethylpiperazine-1-carbothiohydrazide;ethane.

Molecular Properties

Compound Name3,4-diethylpiperazine-1-carbothiohydrazide;ethane
PubChem CID145256013
Molecular FormulaC11H26N4S
Molecular Weight246.42 g/mol
Exact Mass246.19
IUPAC Name3,4-diethylpiperazine-1-carbothiohydrazide;ethane
SMILESCC.CCC1CN(C(=S)NN)CCN1CC
InChIInChI=1S/C9H20N4S.C2H6/c1-3-8-7-13(9(14)11-10)6-5-12(8)4-2;1-2/h8H,3-7,10H2,1-2H3,(H,11,14);1-2H3
InChIKeyISOUGZWNAWJKMB-UHFFFAOYSA-N
XLogP1.18
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethylpiperazine-1-carbothiohydrazide;ethane?
The IUPAC name of 3,4-diethylpiperazine-1-carbothiohydrazide;ethane (CID 145256013) is 3,4-diethylpiperazine-1-carbothiohydrazide;ethane.
What is the SMILES notation for 3,4-diethylpiperazine-1-carbothiohydrazide;ethane?
The canonical SMILES for 3,4-diethylpiperazine-1-carbothiohydrazide;ethane is CC.CCC1CN(C(=S)NN)CCN1CC.
What is the InChIKey of 3,4-diethylpiperazine-1-carbothiohydrazide;ethane?
The InChIKey is ISOUGZWNAWJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4S.C2H6/c1-3-8-7-13(9(14)11-10)6-5-12(8)4-2;1-2/h8H,3-7,10H2,1-2H3,(H,11,14);1-2H3.
What are the key properties of 3,4-diethylpiperazine-1-carbothiohydrazide;ethane?
3,4-diethylpiperazine-1-carbothiohydrazide;ethane has a molecular weight of 246.42 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylpiperazine-1-carbothiohydrazide;ethane is sourced from PubChem (CID 145256013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).