4-methylpiperazine-1-carbothiohydrazide

C6H14N4S — CID 15291742

IUPAC4-methylpiperazine-1-carbothiohydrazide
SMILESCN1CCN(C(=S)NN)CC1
InChIInChI=1S/C6H14N4S/c1-9-2-4-10(5-3-9)6(11)8-7/h2-5,7H2,1H3,(H,8,11)
InChIKeyJNGXJKJTJUBQSH-UHFFFAOYSA-N
MW174.27 g/mol
LogP-1.02
Rot. Bonds

About 4-methylpiperazine-1-carbothiohydrazide

4-methylpiperazine-1-carbothiohydrazide (PubChem CID 15291742) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-methylpiperazine-1-carbothiohydrazide.

Molecular Properties

Compound Name4-methylpiperazine-1-carbothiohydrazide
PubChem CID15291742
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name4-methylpiperazine-1-carbothiohydrazide
SMILESCN1CCN(C(=S)NN)CC1
InChIInChI=1S/C6H14N4S/c1-9-2-4-10(5-3-9)6(11)8-7/h2-5,7H2,1H3,(H,8,11)
InChIKeyJNGXJKJTJUBQSH-UHFFFAOYSA-N
XLogP-1.02
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-1.02
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-Ethylpiperazine-1-carbothiohydrazide
CID 82281176
Piperazine-1,4-dicarbothiohydrazide
CID 3001885
N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide
CID 3005302
N,N-Diethylhydrazinecarbothioamide
CID 5372930
1-Amino-3-(2-piperazin-1-ylethyl)thiourea
CID 10104341
[(4-Methylpiperazin-1-yl)amino]thiourea
CID 54054614
(4-Methylpiperazin-1-yl)thiourea
CID 79006336
2-Methylpiperazine-1-carbothiohydrazide
CID 87548329
1,3-Diamino-1-[2-(diethylamino)ethyl]thiourea
CID 89325213
N,4-dimethylpiperazine-1-carbothiohydrazide
CID 126607554
Piperazine-1-carbothiohydrazide
CID 141683633
3-Amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
CID 144731060

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazine-1-carbothiohydrazide?
The IUPAC name of 4-methylpiperazine-1-carbothiohydrazide (CID 15291742) is 4-methylpiperazine-1-carbothiohydrazide.
What is the SMILES notation for 4-methylpiperazine-1-carbothiohydrazide?
The canonical SMILES for 4-methylpiperazine-1-carbothiohydrazide is CN1CCN(C(=S)NN)CC1.
What is the InChIKey of 4-methylpiperazine-1-carbothiohydrazide?
The InChIKey is JNGXJKJTJUBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c1-9-2-4-10(5-3-9)6(11)8-7/h2-5,7H2,1H3,(H,8,11).
What are the key properties of 4-methylpiperazine-1-carbothiohydrazide?
4-methylpiperazine-1-carbothiohydrazide has a molecular weight of 174.27 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-carbothiohydrazide is sourced from PubChem (CID 15291742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).