1,3-diaminothiourea;piperazine

C5H16N6S — CID 159513765

IUPAC1,3-diaminothiourea;piperazine
SMILESC1CNCCN1.NNC(=S)NN
InChIInChI=1S/C4H10N2.CH6N4S/c1-2-6-4-3-5-1;2-4-1(6)5-3/h5-6H,1-4H2;2-3H2,(H2,4,5,6)
InChIKeyMAXQJSIKCLEHPK-UHFFFAOYSA-N
MW192.29 g/mol
LogP-2.62
Rot. Bonds

About 1,3-diaminothiourea;piperazine

1,3-diaminothiourea;piperazine (PubChem CID 159513765) has the molecular formula C5H16N6S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1,3-diaminothiourea;piperazine.

Molecular Properties

Compound Name1,3-diaminothiourea;piperazine
PubChem CID159513765
Molecular FormulaC5H16N6S
Molecular Weight192.29 g/mol
Exact Mass192.12
IUPAC Name1,3-diaminothiourea;piperazine
SMILESC1CNCCN1.NNC(=S)NN
InChIInChI=1S/C4H10N2.CH6N4S/c1-2-6-4-3-5-1;2-4-1(6)5-3/h5-6H,1-4H2;2-3H2,(H2,4,5,6)
InChIKeyMAXQJSIKCLEHPK-UHFFFAOYSA-N
XLogP-2.62
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.29
LogP ≤ 5-2.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1,3-diaminothiourea;piperazine?
The IUPAC name of 1,3-diaminothiourea;piperazine (CID 159513765) is 1,3-diaminothiourea;piperazine.
What is the SMILES notation for 1,3-diaminothiourea;piperazine?
The canonical SMILES for 1,3-diaminothiourea;piperazine is C1CNCCN1.NNC(=S)NN.
What is the InChIKey of 1,3-diaminothiourea;piperazine?
The InChIKey is MAXQJSIKCLEHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH6N4S/c1-2-6-4-3-5-1;2-4-1(6)5-3/h5-6H,1-4H2;2-3H2,(H2,4,5,6).
What are the key properties of 1,3-diaminothiourea;piperazine?
1,3-diaminothiourea;piperazine has a molecular weight of 192.29 g/mol, XLogP of -2.62, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminothiourea;piperazine is sourced from PubChem (CID 159513765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).