1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea

C17H19BrN2S — CID 8657365

IUPAC1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2S/c1-3-16(13-6-8-14(18)9-7-13)20-17(21)19-15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyQHRJNCOBXPEXRH-MRXNPFEDSA-N
MW363.32 g/mol
LogP5.20
Rot. Bonds4

About 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea

1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea (PubChem CID 8657365) has the molecular formula C17H19BrN2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
PubChem CID8657365
Molecular FormulaC17H19BrN2S
Molecular Weight363.32 g/mol
Exact Mass362.05
IUPAC Name1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2S/c1-3-16(13-6-8-14(18)9-7-13)20-17(21)19-15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyQHRJNCOBXPEXRH-MRXNPFEDSA-N
XLogP5.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.32
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)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-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100650374
1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100650624
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675395
1-(3,4-dichlorophenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 27519171
1-(3,4-difluorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 100650729
1-(3,4-dichlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 27519172
1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100650455
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 100650540
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651290
1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
CID 100651617
1-[(1S)-1-(4-bromophenyl)propyl]-3-prop-2-enylthiourea
CID 8696980

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea (CID 8657365) is 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea is CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea?
The InChIKey is QHRJNCOBXPEXRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19BrN2S/c1-3-16(13-6-8-14(18)9-7-13)20-17(21)19-15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea?
1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea has a molecular weight of 363.32 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 8657365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).