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

C9H18N4S — CID 2958129

IUPAC1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea
SMILESCN1CCN(NC(=S)NC2CC2)CC1
InChIInChI=1S/C9H18N4S/c1-12-4-6-13(7-5-12)11-9(14)10-8-2-3-8/h8H,2-7H2,1H3,(H2,10,11,14)
InChIKeyGSWCGFDRHRZWGB-UHFFFAOYSA-N
MW214.34 g/mol
LogP-0.22
Rot. Bonds2

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

1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea (PubChem CID 2958129) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea
PubChem CID2958129
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea
SMILESCN1CCN(NC(=S)NC2CC2)CC1
InChIInChI=1S/C9H18N4S/c1-12-4-6-13(7-5-12)11-9(14)10-8-2-3-8/h8H,2-7H2,1H3,(H2,10,11,14)
InChIKeyGSWCGFDRHRZWGB-UHFFFAOYSA-N
XLogP-0.22
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 5-0.22
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-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea (CID 2958129) is 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea is CN1CCN(NC(=S)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea?
The InChIKey is GSWCGFDRHRZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-12-4-6-13(7-5-12)11-9(14)10-8-2-3-8/h8H,2-7H2,1H3,(H2,10,11,14).
What are the key properties of 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea?
1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea has a molecular weight of 214.34 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methylpiperazin-1-yl)thiourea is sourced from PubChem (CID 2958129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).