1-ethyl-3-(4-methylpiperazin-1-yl)thiourea

C8H18N4S — CID 886375

IUPAC1-ethyl-3-(4-methylpiperazin-1-yl)thiourea
SMILESCCNC(=S)NN1CCN(C)CC1
InChIInChI=1S/C8H18N4S/c1-3-9-8(13)10-12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H2,9,10,13)
InChIKeyJORVTZDHMLKJQJ-UHFFFAOYSA-N
MW202.33 g/mol
LogP-0.37
Rot. Bonds2

About 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea

1-ethyl-3-(4-methylpiperazin-1-yl)thiourea (PubChem CID 886375) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(4-methylpiperazin-1-yl)thiourea
PubChem CID886375
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC Name1-ethyl-3-(4-methylpiperazin-1-yl)thiourea
SMILESCCNC(=S)NN1CCN(C)CC1
InChIInChI=1S/C8H18N4S/c1-3-9-8(13)10-12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H2,9,10,13)
InChIKeyJORVTZDHMLKJQJ-UHFFFAOYSA-N
XLogP-0.37
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea?
The IUPAC name of 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea (CID 886375) is 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea is CCNC(=S)NN1CCN(C)CC1.
What is the InChIKey of 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea?
The InChIKey is JORVTZDHMLKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c1-3-9-8(13)10-12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H2,9,10,13).
What are the key properties of 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea?
1-ethyl-3-(4-methylpiperazin-1-yl)thiourea has a molecular weight of 202.33 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylpiperazin-1-yl)thiourea is sourced from PubChem (CID 886375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).