(4-methylpiperazin-1-yl)thiourea

C6H14N4S — CID 79006336

IUPAC(4-methylpiperazin-1-yl)thiourea
SMILESCN1CCN(NC(N)=S)CC1
InChIInChI=1S/C6H14N4S/c1-9-2-4-10(5-3-9)8-6(7)11/h2-5H2,1H3,(H3,7,8,11)
InChIKeyZOPLRPTVJUJANI-UHFFFAOYSA-N
MW174.27 g/mol
LogP-1.02
Rot. Bonds1

About (4-methylpiperazin-1-yl)thiourea

(4-methylpiperazin-1-yl)thiourea (PubChem CID 79006336) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)thiourea.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)thiourea
PubChem CID79006336
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name(4-methylpiperazin-1-yl)thiourea
SMILESCN1CCN(NC(N)=S)CC1
InChIInChI=1S/C6H14N4S/c1-9-2-4-10(5-3-9)8-6(7)11/h2-5H2,1H3,(H3,7,8,11)
InChIKeyZOPLRPTVJUJANI-UHFFFAOYSA-N
XLogP-1.02
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4-methylpiperazin-1-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)thiourea?
The IUPAC name of (4-methylpiperazin-1-yl)thiourea (CID 79006336) is (4-methylpiperazin-1-yl)thiourea.
What is the SMILES notation for (4-methylpiperazin-1-yl)thiourea?
The canonical SMILES for (4-methylpiperazin-1-yl)thiourea is CN1CCN(NC(N)=S)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)thiourea?
The InChIKey is ZOPLRPTVJUJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c1-9-2-4-10(5-3-9)8-6(7)11/h2-5H2,1H3,(H3,7,8,11).
What are the key properties of (4-methylpiperazin-1-yl)thiourea?
(4-methylpiperazin-1-yl)thiourea has a molecular weight of 174.27 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)thiourea is sourced from PubChem (CID 79006336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).