1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea

C19H24N2S — CID 2444360

IUPAC1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccccc1NC(=S)NCCCc1ccccc1
InChIInChI=1S/C19H24N2S/c1-15(2)17-12-6-7-13-18(17)21-19(22)20-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H2,20,21,22)
InChIKeyIWFXNYFSTRXGOI-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.73
Rot. Bonds6

About 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea

1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea (PubChem CID 2444360) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea
PubChem CID2444360
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccccc1NC(=S)NCCCc1ccccc1
InChIInChI=1S/C19H24N2S/c1-15(2)17-12-6-7-13-18(17)21-19(22)20-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H2,20,21,22)
InChIKeyIWFXNYFSTRXGOI-UHFFFAOYSA-N
XLogP4.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.73
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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Related Compounds

1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597
3-phenylpropyl 5-oxo-5-[(2-propan-2-ylphenyl)carbamothioylamino]pentanoate
CID 17094047
1-(4-bromo-2-methylphenyl)-3-(3-phenylpropyl)thiourea
CID 124748997
1-butan-2-yl-3-(2-propan-2-ylphenyl)thiourea
CID 43384666
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262614
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
1-(4-phenylbutyl)-3-propylthiourea
CID 19650176
1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
CID 7939289
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2-propan-2-ylphenyl)thiourea
CID 2447577
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea (CID 2444360) is 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea is CC(C)c1ccccc1NC(=S)NCCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea?
The InChIKey is IWFXNYFSTRXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-15(2)17-12-6-7-13-18(17)21-19(22)20-14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea?
1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 2444360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).