2-methylpiperazine-1-carbothiohydrazide

C6H14N4S — CID 87548329

IUPAC2-methylpiperazine-1-carbothiohydrazide
SMILESCC1CNCCN1C(=S)NN
InChIInChI=1S/C6H14N4S/c1-5-4-8-2-3-10(5)6(11)9-7/h5,8H,2-4,7H2,1H3,(H,9,11)
InChIKeyUEINAMGBZOBZBF-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.97
Rot. Bonds

About 2-methylpiperazine-1-carbothiohydrazide

2-methylpiperazine-1-carbothiohydrazide (PubChem CID 87548329) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-methylpiperazine-1-carbothiohydrazide.

Molecular Properties

Compound Name2-methylpiperazine-1-carbothiohydrazide
PubChem CID87548329
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name2-methylpiperazine-1-carbothiohydrazide
SMILESCC1CNCCN1C(=S)NN
InChIInChI=1S/C6H14N4S/c1-5-4-8-2-3-10(5)6(11)9-7/h5,8H,2-4,7H2,1H3,(H,9,11)
InChIKeyUEINAMGBZOBZBF-UHFFFAOYSA-N
XLogP-0.97
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
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 2-methylpiperazine-1-carbothiohydrazide?
The IUPAC name of 2-methylpiperazine-1-carbothiohydrazide (CID 87548329) is 2-methylpiperazine-1-carbothiohydrazide.
What is the SMILES notation for 2-methylpiperazine-1-carbothiohydrazide?
The canonical SMILES for 2-methylpiperazine-1-carbothiohydrazide is CC1CNCCN1C(=S)NN.
What is the InChIKey of 2-methylpiperazine-1-carbothiohydrazide?
The InChIKey is UEINAMGBZOBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c1-5-4-8-2-3-10(5)6(11)9-7/h5,8H,2-4,7H2,1H3,(H,9,11).
What are the key properties of 2-methylpiperazine-1-carbothiohydrazide?
2-methylpiperazine-1-carbothiohydrazide has a molecular weight of 174.27 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperazine-1-carbothiohydrazide is sourced from PubChem (CID 87548329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).