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

C17H20N2S — CID 19675340

IUPAC1-benzyl-3-(1-phenylpropyl)thiourea
SMILESCCC(NC(=S)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-2-16(15-11-7-4-8-12-15)19-17(20)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H2,18,19,20)
InChIKeyCUDGVVUELMTPQA-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.80
Rot. Bonds5

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

1-benzyl-3-(1-phenylpropyl)thiourea (PubChem CID 19675340) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-benzyl-3-(1-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(1-phenylpropyl)thiourea
PubChem CID19675340
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-benzyl-3-(1-phenylpropyl)thiourea
SMILESCCC(NC(=S)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-2-16(15-11-7-4-8-12-15)19-17(20)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H2,18,19,20)
InChIKeyCUDGVVUELMTPQA-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675428
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
1-[2-(4-chlorophenyl)ethyl]-3-(1-phenylpropyl)thiourea
CID 5000601
1-(3-ethoxypropyl)-3-(1-phenylpropyl)thiourea
CID 115596881
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017
1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
CID 43911866
1-(1-phenylethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 19686584
1-benzyl-3-propylthiourea
CID 12725927
1-(oxolan-2-ylmethyl)-3-(1-phenylpropyl)thiourea
CID 19675335
1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-phenylpropyl)thiourea?
The IUPAC name of 1-benzyl-3-(1-phenylpropyl)thiourea (CID 19675340) is 1-benzyl-3-(1-phenylpropyl)thiourea.
What is the SMILES notation for 1-benzyl-3-(1-phenylpropyl)thiourea?
The canonical SMILES for 1-benzyl-3-(1-phenylpropyl)thiourea is CCC(NC(=S)NCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-(1-phenylpropyl)thiourea?
The InChIKey is CUDGVVUELMTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-16(15-11-7-4-8-12-15)19-17(20)18-13-14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-benzyl-3-(1-phenylpropyl)thiourea?
1-benzyl-3-(1-phenylpropyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-phenylpropyl)thiourea is sourced from PubChem (CID 19675340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).