[(4-methylpiperazin-1-yl)amino]thiourea

C6H15N5S — CID 54054614

IUPAC[(4-methylpiperazin-1-yl)amino]thiourea
SMILESCN1CCN(NNC(N)=S)CC1
InChIInChI=1S/C6H15N5S/c1-10-2-4-11(5-3-10)9-8-6(7)12/h9H,2-5H2,1H3,(H3,7,8,12)
InChIKeyLVJJUORRABVDMT-UHFFFAOYSA-N
MW189.29 g/mol
LogP-1.51
Rot. Bonds2

About [(4-methylpiperazin-1-yl)amino]thiourea

[(4-methylpiperazin-1-yl)amino]thiourea (PubChem CID 54054614) has the molecular formula C6H15N5S and a molecular weight of 189.29 g/mol. Its IUPAC name is [(4-methylpiperazin-1-yl)amino]thiourea.

Molecular Properties

Compound Name[(4-methylpiperazin-1-yl)amino]thiourea
PubChem CID54054614
Molecular FormulaC6H15N5S
Molecular Weight189.29 g/mol
Exact Mass189.10
IUPAC Name[(4-methylpiperazin-1-yl)amino]thiourea
SMILESCN1CCN(NNC(N)=S)CC1
InChIInChI=1S/C6H15N5S/c1-10-2-4-11(5-3-10)9-8-6(7)12/h9H,2-5H2,1H3,(H3,7,8,12)
InChIKeyLVJJUORRABVDMT-UHFFFAOYSA-N
XLogP-1.51
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [(4-methylpiperazin-1-yl)amino]thiourea?
The IUPAC name of [(4-methylpiperazin-1-yl)amino]thiourea (CID 54054614) is [(4-methylpiperazin-1-yl)amino]thiourea.
What is the SMILES notation for [(4-methylpiperazin-1-yl)amino]thiourea?
The canonical SMILES for [(4-methylpiperazin-1-yl)amino]thiourea is CN1CCN(NNC(N)=S)CC1.
What is the InChIKey of [(4-methylpiperazin-1-yl)amino]thiourea?
The InChIKey is LVJJUORRABVDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5S/c1-10-2-4-11(5-3-10)9-8-6(7)12/h9H,2-5H2,1H3,(H3,7,8,12).
What are the key properties of [(4-methylpiperazin-1-yl)amino]thiourea?
[(4-methylpiperazin-1-yl)amino]thiourea has a molecular weight of 189.29 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylpiperazin-1-yl)amino]thiourea is sourced from PubChem (CID 54054614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).