1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea

C17H20N2S — CID 19711806

IUPAC1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea
SMILESCC(C)CNC(=S)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2S/c1-13(2)12-18-17(20)19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19,20)
InChIKeyYFVAQEMVNXQMFL-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.30
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea

1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea (PubChem CID 19711806) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea
PubChem CID19711806
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea
SMILESCC(C)CNC(=S)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2S/c1-13(2)12-18-17(20)19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19,20)
InChIKeyYFVAQEMVNXQMFL-UHFFFAOYSA-N
XLogP4.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.30
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-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea
CID 3783998
1-[(5-methylpyrazin-2-yl)methyl]-3-(2-phenylphenyl)thiourea
CID 3687140
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
1-(5-bromo-2-methylphenyl)-3-(2-methylpropyl)thiourea
CID 115583610
1-[(2S)-2-benzylbutyl]-3-(2-chlorophenyl)thiourea
CID 100704229
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea?
The IUPAC name of 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea (CID 19711806) is 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea is CC(C)CNC(=S)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea?
The InChIKey is YFVAQEMVNXQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-13(2)12-18-17(20)19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea?
1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea is sourced from PubChem (CID 19711806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).