[2-(2-aminoethylamino)ethylamino]thiourea

C5H15N5S — CID 87513765

IUPAC[2-(2-aminoethylamino)ethylamino]thiourea
SMILESNCCNCCNNC(N)=S
InChIInChI=1S/C5H15N5S/c6-1-2-8-3-4-9-10-5(7)11/h8-9H,1-4,6H2,(H3,7,10,11)
InChIKeyXNXSVMHMLCJJAS-UHFFFAOYSA-N
MW177.28 g/mol
LogP-2.13
Rot. Bonds6

About [2-(2-aminoethylamino)ethylamino]thiourea

[2-(2-aminoethylamino)ethylamino]thiourea (PubChem CID 87513765) has the molecular formula C5H15N5S and a molecular weight of 177.28 g/mol. Its IUPAC name is [2-(2-aminoethylamino)ethylamino]thiourea.

Molecular Properties

Compound Name[2-(2-aminoethylamino)ethylamino]thiourea
PubChem CID87513765
Molecular FormulaC5H15N5S
Molecular Weight177.28 g/mol
Exact Mass177.10
IUPAC Name[2-(2-aminoethylamino)ethylamino]thiourea
SMILESNCCNCCNNC(N)=S
InChIInChI=1S/C5H15N5S/c6-1-2-8-3-4-9-10-5(7)11/h8-9H,1-4,6H2,(H3,7,10,11)
InChIKeyXNXSVMHMLCJJAS-UHFFFAOYSA-N
XLogP-2.13
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.28
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
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-aminoethylamino)ethylamino]thiourea?
The IUPAC name of [2-(2-aminoethylamino)ethylamino]thiourea (CID 87513765) is [2-(2-aminoethylamino)ethylamino]thiourea.
What is the SMILES notation for [2-(2-aminoethylamino)ethylamino]thiourea?
The canonical SMILES for [2-(2-aminoethylamino)ethylamino]thiourea is NCCNCCNNC(N)=S.
What is the InChIKey of [2-(2-aminoethylamino)ethylamino]thiourea?
The InChIKey is XNXSVMHMLCJJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N5S/c6-1-2-8-3-4-9-10-5(7)11/h8-9H,1-4,6H2,(H3,7,10,11).
What are the key properties of [2-(2-aminoethylamino)ethylamino]thiourea?
[2-(2-aminoethylamino)ethylamino]thiourea has a molecular weight of 177.28 g/mol, XLogP of -2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethylamino)ethylamino]thiourea is sourced from PubChem (CID 87513765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).