1-benzyl-3-(2-phenylpropyl)thiourea

C17H20N2S — CID 84823017

IUPAC1-benzyl-3-(2-phenylpropyl)thiourea
SMILESCC(CNC(=S)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-14(16-10-6-3-7-11-16)12-18-17(20)19-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H2,18,19,20)
InChIKeyAVTKTVYQUPAFLT-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.45
Rot. Bonds5

About 1-benzyl-3-(2-phenylpropyl)thiourea

1-benzyl-3-(2-phenylpropyl)thiourea (PubChem CID 84823017) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-benzyl-3-(2-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(2-phenylpropyl)thiourea
PubChem CID84823017
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-benzyl-3-(2-phenylpropyl)thiourea
SMILESCC(CNC(=S)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-14(16-10-6-3-7-11-16)12-18-17(20)19-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H2,18,19,20)
InChIKeyAVTKTVYQUPAFLT-UHFFFAOYSA-N
XLogP3.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine
CID 110953982
1-benzyl-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 110953981
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
CID 8678665
1-benzyl-3-(1-phenylpropyl)thiourea
CID 19675340
1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
CID 3008818
1-benzyl-3-propylthiourea
CID 12725927
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiourea
CID 8727651
[(1S)-2-(benzylcarbamothioylamino)-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8771351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-phenylpropyl)thiourea?
The IUPAC name of 1-benzyl-3-(2-phenylpropyl)thiourea (CID 84823017) is 1-benzyl-3-(2-phenylpropyl)thiourea.
What is the SMILES notation for 1-benzyl-3-(2-phenylpropyl)thiourea?
The canonical SMILES for 1-benzyl-3-(2-phenylpropyl)thiourea is CC(CNC(=S)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-phenylpropyl)thiourea?
The InChIKey is AVTKTVYQUPAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-14(16-10-6-3-7-11-16)12-18-17(20)19-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-benzyl-3-(2-phenylpropyl)thiourea?
1-benzyl-3-(2-phenylpropyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-phenylpropyl)thiourea is sourced from PubChem (CID 84823017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).