1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

C19H24N2S — CID 19675515

IUPAC1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)c1ccc(C(C)NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2S/c1-14(2)17-9-11-18(12-10-17)15(3)21-19(22)20-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H2,20,21,22)
InChIKeyOUGRPMWTCXRRAZ-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.54
Rot. Bonds5

About 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (PubChem CID 19675515) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
PubChem CID19675515
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCC(C)c1ccc(C(C)NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N2S/c1-14(2)17-9-11-18(12-10-17)15(3)21-19(22)20-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H2,20,21,22)
InChIKeyOUGRPMWTCXRRAZ-UHFFFAOYSA-N
XLogP4.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-(1-phenylethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 19686584
1-(2-methylpropyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675508
1-(1-phenylethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 19649491
1-benzyl-3-(1-phenylpropyl)thiourea
CID 19675340
1-methyl-3-[(4-propan-2-ylphenyl)methyl]thiourea
CID 115591677
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
CID 17284516
1-propan-2-yl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675507

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (CID 19675515) is 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is CC(C)c1ccc(C(C)NC(=S)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The InChIKey is OUGRPMWTCXRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-14(2)17-9-11-18(12-10-17)15(3)21-19(22)20-13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.54, 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-(4-propan-2-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).