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

C16H18N2S — CID 115570733

IUPAC1-phenyl-3-(2-phenylpropyl)thiourea
SMILESCC(CNC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2S/c1-13(14-8-4-2-5-9-14)12-17-16(19)18-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,18,19)
InChIKeyVUUULYSKEQGLCF-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.78
Rot. Bonds4

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

1-phenyl-3-(2-phenylpropyl)thiourea (PubChem CID 115570733) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-phenyl-3-(2-phenylpropyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(2-phenylpropyl)thiourea
PubChem CID115570733
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-phenyl-3-(2-phenylpropyl)thiourea
SMILESCC(CNC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2S/c1-13(14-8-4-2-5-9-14)12-17-16(19)18-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,18,19)
InChIKeyVUUULYSKEQGLCF-UHFFFAOYSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.78
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-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017
1-(2-methoxypropyl)-3-phenylthiourea
CID 102697388
1-(6-methyl-2-pyridinyl)-3-[(2S)-2-phenylpropyl]thiourea
CID 3008818
1-(2,2-dimethoxyethyl)-3-phenylthiourea
CID 1474302
1-(4-tert-butylphenyl)-3-(2,2-diphenylethyl)thiourea
CID 3281911
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 799934
1-[(1S)-3-methyl-1-phenylbutyl]-3-phenylthiourea
CID 92679253
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[(2R)-2-benzylbutyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100704194

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-phenylpropyl)thiourea?
The IUPAC name of 1-phenyl-3-(2-phenylpropyl)thiourea (CID 115570733) is 1-phenyl-3-(2-phenylpropyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(2-phenylpropyl)thiourea?
The canonical SMILES for 1-phenyl-3-(2-phenylpropyl)thiourea is CC(CNC(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-phenylpropyl)thiourea?
The InChIKey is VUUULYSKEQGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-13(14-8-4-2-5-9-14)12-17-16(19)18-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-phenyl-3-(2-phenylpropyl)thiourea?
1-phenyl-3-(2-phenylpropyl)thiourea has a molecular weight of 270.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-phenylpropyl)thiourea is sourced from PubChem (CID 115570733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).