1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea

C5H14N4S — CID 88758192

IUPAC1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CN)NC(=S)NN
InChIInChI=1S/C5H14N4S/c1-5(2,3-6)8-4(10)9-7/h3,6-7H2,1-2H3,(H2,8,9,10)
InChIKeyOZZGTBAEYAAWRJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.94
Rot. Bonds2

About 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea

1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea (PubChem CID 88758192) has the molecular formula C5H14N4S and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea
PubChem CID88758192
Molecular FormulaC5H14N4S
Molecular Weight162.26 g/mol
Exact Mass162.09
IUPAC Name1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CN)NC(=S)NN
InChIInChI=1S/C5H14N4S/c1-5(2,3-6)8-4(10)9-7/h3,6-7H2,1-2H3,(H2,8,9,10)
InChIKeyOZZGTBAEYAAWRJ-UHFFFAOYSA-N
XLogP-0.94
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-3-(1-amino-2-methylpropan-2-yl)thiourea?
The IUPAC name of 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea (CID 88758192) is 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea.
What is the SMILES notation for 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea?
The canonical SMILES for 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea is CC(C)(CN)NC(=S)NN.
What is the InChIKey of 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea?
The InChIKey is OZZGTBAEYAAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S/c1-5(2,3-6)8-4(10)9-7/h3,6-7H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea?
1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea has a molecular weight of 162.26 g/mol, XLogP of -0.94, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-amino-2-methylpropan-2-yl)thiourea is sourced from PubChem (CID 88758192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).