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

C17H20N2S — CID 4219053

IUPAC1-benzyl-3-(3-phenylpropyl)thiourea
SMILESS=C(NCCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H20N2S/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20)
InChIKeyJILFWKMHJYDGCW-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.28
Rot. Bonds6

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

1-benzyl-3-(3-phenylpropyl)thiourea (PubChem CID 4219053) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-benzyl-3-(3-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(3-phenylpropyl)thiourea
PubChem CID4219053
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-benzyl-3-(3-phenylpropyl)thiourea
SMILESS=C(NCCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H20N2S/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20)
InChIKeyJILFWKMHJYDGCW-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-phenylpropyl)thiourea?
The IUPAC name of 1-benzyl-3-(3-phenylpropyl)thiourea (CID 4219053) is 1-benzyl-3-(3-phenylpropyl)thiourea.
What is the SMILES notation for 1-benzyl-3-(3-phenylpropyl)thiourea?
The canonical SMILES for 1-benzyl-3-(3-phenylpropyl)thiourea is S=C(NCCCc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-phenylpropyl)thiourea?
The InChIKey is JILFWKMHJYDGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20).
What are the key properties of 1-benzyl-3-(3-phenylpropyl)thiourea?
1-benzyl-3-(3-phenylpropyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-phenylpropyl)thiourea is sourced from PubChem (CID 4219053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).