N',N',4-trimethylpiperazine-1-carbothiohydrazide

C8H18N4S — CID 5382002

IUPACN',N',4-trimethylpiperazine-1-carbothiohydrazide
SMILESCN1CCN(C(=S)NN(C)C)CC1
InChIInChI=1S/C8H18N4S/c1-10(2)9-8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3,(H,9,13)
InChIKeyVNHCTTYFLOARJU-UHFFFAOYSA-N
MW202.33 g/mol
LogP-0.42
Rot. Bonds1

About N',N',4-trimethylpiperazine-1-carbothiohydrazide

N',N',4-trimethylpiperazine-1-carbothiohydrazide (PubChem CID 5382002) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is N',N',4-trimethylpiperazine-1-carbothiohydrazide.

Molecular Properties

Compound NameN',N',4-trimethylpiperazine-1-carbothiohydrazide
PubChem CID5382002
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC NameN',N',4-trimethylpiperazine-1-carbothiohydrazide
SMILESCN1CCN(C(=S)NN(C)C)CC1
InChIInChI=1S/C8H18N4S/c1-10(2)9-8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3,(H,9,13)
InChIKeyVNHCTTYFLOARJU-UHFFFAOYSA-N
XLogP-0.42
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
4-Ethylpiperazine-1-carbothiohydrazide
CID 82281176
Piperazine-1,4-dicarbothiohydrazide
CID 3001885
1-Ethyl-3-(4-methylpiperazin-1-yl)thiourea
CID 886375
1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
CID 12802959
Ethane;4-methylpiperazine-1-carbothioamide
CID 90825025
N,4-dimethylpiperazine-1-carbothiohydrazide
CID 126607554
3-Amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
CID 144731060
3,4-Diethylpiperazine-1-carbothiohydrazide;ethane
CID 145256013
[(4-Methylpiperazinyl)amino](propylamino)methane-1-thione
CID 4073097
1-Ethyl-3-(4-methylpiperazin-4-ium-1-yl)thiourea
CID 7289695
1-Methyl-3-(4-methylpiperazin-1-yl)thiourea
CID 19653769

Frequently Asked Questions

What is the IUPAC name of N',N',4-trimethylpiperazine-1-carbothiohydrazide?
The IUPAC name of N',N',4-trimethylpiperazine-1-carbothiohydrazide (CID 5382002) is N',N',4-trimethylpiperazine-1-carbothiohydrazide.
What is the SMILES notation for N',N',4-trimethylpiperazine-1-carbothiohydrazide?
The canonical SMILES for N',N',4-trimethylpiperazine-1-carbothiohydrazide is CN1CCN(C(=S)NN(C)C)CC1.
What is the InChIKey of N',N',4-trimethylpiperazine-1-carbothiohydrazide?
The InChIKey is VNHCTTYFLOARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c1-10(2)9-8(13)12-6-4-11(3)5-7-12/h4-7H2,1-3H3,(H,9,13).
What are the key properties of N',N',4-trimethylpiperazine-1-carbothiohydrazide?
N',N',4-trimethylpiperazine-1-carbothiohydrazide has a molecular weight of 202.33 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',4-trimethylpiperazine-1-carbothiohydrazide is sourced from PubChem (CID 5382002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).