[2-(2-methylpiperazin-1-yl)ethylamino]thiourea

C8H19N5S — CID 57004209

IUPAC[2-(2-methylpiperazin-1-yl)ethylamino]thiourea
SMILESCC1CNCCN1CCNNC(N)=S
InChIInChI=1S/C8H19N5S/c1-7-6-10-2-4-13(7)5-3-11-12-8(9)14/h7,10-11H,2-6H2,1H3,(H3,9,12,14)
InChIKeyLZYNVPCDBXEUJG-UHFFFAOYSA-N
MW217.34 g/mol
LogP-1.38
Rot. Bonds4

About [2-(2-methylpiperazin-1-yl)ethylamino]thiourea

[2-(2-methylpiperazin-1-yl)ethylamino]thiourea (PubChem CID 57004209) has the molecular formula C8H19N5S and a molecular weight of 217.34 g/mol. Its IUPAC name is [2-(2-methylpiperazin-1-yl)ethylamino]thiourea.

Molecular Properties

Compound Name[2-(2-methylpiperazin-1-yl)ethylamino]thiourea
PubChem CID57004209
Molecular FormulaC8H19N5S
Molecular Weight217.34 g/mol
Exact Mass217.14
IUPAC Name[2-(2-methylpiperazin-1-yl)ethylamino]thiourea
SMILESCC1CNCCN1CCNNC(N)=S
InChIInChI=1S/C8H19N5S/c1-7-6-10-2-4-13(7)5-3-11-12-8(9)14/h7,10-11H,2-6H2,1H3,(H3,9,12,14)
InChIKeyLZYNVPCDBXEUJG-UHFFFAOYSA-N
XLogP-1.38
TPSA65.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperazin-1-yl)ethylamino]thiourea?
The IUPAC name of [2-(2-methylpiperazin-1-yl)ethylamino]thiourea (CID 57004209) is [2-(2-methylpiperazin-1-yl)ethylamino]thiourea.
What is the SMILES notation for [2-(2-methylpiperazin-1-yl)ethylamino]thiourea?
The canonical SMILES for [2-(2-methylpiperazin-1-yl)ethylamino]thiourea is CC1CNCCN1CCNNC(N)=S.
What is the InChIKey of [2-(2-methylpiperazin-1-yl)ethylamino]thiourea?
The InChIKey is LZYNVPCDBXEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5S/c1-7-6-10-2-4-13(7)5-3-11-12-8(9)14/h7,10-11H,2-6H2,1H3,(H3,9,12,14).
What are the key properties of [2-(2-methylpiperazin-1-yl)ethylamino]thiourea?
[2-(2-methylpiperazin-1-yl)ethylamino]thiourea has a molecular weight of 217.34 g/mol, XLogP of -1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperazin-1-yl)ethylamino]thiourea is sourced from PubChem (CID 57004209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).