piperazin-1-ylthiourea

C5H12N4S — CID 26967160

IUPACpiperazin-1-ylthiourea
SMILESNC(=S)NN1CCNCC1
InChIInChI=1S/C5H12N4S/c6-5(10)8-9-3-1-7-2-4-9/h7H,1-4H2,(H3,6,8,10)
InChIKeyTWBOKWDRJBMQEB-UHFFFAOYSA-N
MW160.25 g/mol
LogP-1.36
Rot. Bonds1

About piperazin-1-ylthiourea

piperazin-1-ylthiourea (PubChem CID 26967160) has the molecular formula C5H12N4S and a molecular weight of 160.25 g/mol. Its IUPAC name is piperazin-1-ylthiourea.

Molecular Properties

Compound Namepiperazin-1-ylthiourea
PubChem CID26967160
Molecular FormulaC5H12N4S
Molecular Weight160.25 g/mol
Exact Mass160.08
IUPAC Namepiperazin-1-ylthiourea
SMILESNC(=S)NN1CCNCC1
InChIInChI=1S/C5H12N4S/c6-5(10)8-9-3-1-7-2-4-9/h7H,1-4H2,(H3,6,8,10)
InChIKeyTWBOKWDRJBMQEB-UHFFFAOYSA-N
XLogP-1.36
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Piperazin-1-ylcarbamodithioic acid
CID 15871838
N-methylpiperazinylthiourea
CID 87467772
Piperazine dithiosemicarbazide
CID 129760510
Piperazinyl thioacetamide
CID 155490144
1-Methyl-1,2,4-triazinane-3-thione
CID 21821129
[2-(1-Methylpiperazin-1-ium-1-yl)ethylamino]thiourea
CID 53675211
[(4-Methylpiperazin-1-yl)amino]thiourea
CID 54054614
(4-Methylpiperazin-1-yl)thiourea
CID 79006336
(2-Methylpiperazin-1-yl)thiourea
CID 87467770
[2-(2-Aminoethylamino)ethylamino]thiourea
CID 87513765
[(2-Methylpiperazin-1-yl)amino]thiourea
CID 87801348
[Methyl(piperazin-1-yl)amino]thiourea
CID 87801349

Frequently Asked Questions

What is the IUPAC name of piperazin-1-ylthiourea?
The IUPAC name of piperazin-1-ylthiourea (CID 26967160) is piperazin-1-ylthiourea.
What is the SMILES notation for piperazin-1-ylthiourea?
The canonical SMILES for piperazin-1-ylthiourea is NC(=S)NN1CCNCC1.
What is the InChIKey of piperazin-1-ylthiourea?
The InChIKey is TWBOKWDRJBMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4S/c6-5(10)8-9-3-1-7-2-4-9/h7H,1-4H2,(H3,6,8,10).
What are the key properties of piperazin-1-ylthiourea?
piperazin-1-ylthiourea has a molecular weight of 160.25 g/mol, XLogP of -1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylthiourea is sourced from PubChem (CID 26967160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).