4-ethylpiperazine-1-carbothiohydrazide

C7H16N4S — CID 82281176

IUPAC4-ethylpiperazine-1-carbothiohydrazide
SMILESCCN1CCN(C(=S)NN)CC1
InChIInChI=1S/C7H16N4S/c1-2-10-3-5-11(6-4-10)7(12)9-8/h2-6,8H2,1H3,(H,9,12)
InChIKeyZDKLUCMVFAAWNX-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.63
Rot. Bonds1

About 4-ethylpiperazine-1-carbothiohydrazide

4-ethylpiperazine-1-carbothiohydrazide (PubChem CID 82281176) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-ethylpiperazine-1-carbothiohydrazide.

Molecular Properties

Compound Name4-ethylpiperazine-1-carbothiohydrazide
PubChem CID82281176
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name4-ethylpiperazine-1-carbothiohydrazide
SMILESCCN1CCN(C(=S)NN)CC1
InChIInChI=1S/C7H16N4S/c1-2-10-3-5-11(6-4-10)7(12)9-8/h2-6,8H2,1H3,(H,9,12)
InChIKeyZDKLUCMVFAAWNX-UHFFFAOYSA-N
XLogP-0.63
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.63
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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Related Compounds

4-Methylpiperazine-1-carbothiohydrazide
CID 15291742
Piperazine-1,4-dicarbothiohydrazide
CID 3001885
N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide
CID 3005302
1-Ethyl-3-(4-methylpiperazin-1-yl)thiourea
CID 886375
1-Amino-3-(2-piperazin-1-ylethyl)thiourea
CID 10104341
[(4-Methylpiperazin-1-yl)amino]thiourea
CID 54054614
1,3-Diamino-1-[2-(diethylamino)ethyl]thiourea
CID 89325213
(4-Methylpiperazin-1-yl)methylhydrazine
CID 117574686
N,4-dimethylpiperazine-1-carbothiohydrazide
CID 126607554
Piperazine-1-carbothiohydrazide
CID 141683633
3-Amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
CID 144731060
3,4-Diethylpiperazine-1-carbothiohydrazide;ethane
CID 145256013

Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperazine-1-carbothiohydrazide?
The IUPAC name of 4-ethylpiperazine-1-carbothiohydrazide (CID 82281176) is 4-ethylpiperazine-1-carbothiohydrazide.
What is the SMILES notation for 4-ethylpiperazine-1-carbothiohydrazide?
The canonical SMILES for 4-ethylpiperazine-1-carbothiohydrazide is CCN1CCN(C(=S)NN)CC1.
What is the InChIKey of 4-ethylpiperazine-1-carbothiohydrazide?
The InChIKey is ZDKLUCMVFAAWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-2-10-3-5-11(6-4-10)7(12)9-8/h2-6,8H2,1H3,(H,9,12).
What are the key properties of 4-ethylpiperazine-1-carbothiohydrazide?
4-ethylpiperazine-1-carbothiohydrazide has a molecular weight of 188.30 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperazine-1-carbothiohydrazide is sourced from PubChem (CID 82281176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).