1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea

C17H19ClN2OS — CID 92693805

IUPAC1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19ClN2OS/c1-3-16(12-4-10-15(21-2)11-5-12)20-17(22)19-14-8-6-13(18)7-9-14/h4-11,16H,3H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyVFTGNHZDRXGAJX-INIZCTEOSA-N
MW334.87 g/mol
LogP4.79
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea

1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (PubChem CID 92693805) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
PubChem CID92693805
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H19ClN2OS/c1-3-16(12-4-10-15(21-2)11-5-12)20-17(22)19-14-8-6-13(18)7-9-14/h4-11,16H,3H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyVFTGNHZDRXGAJX-INIZCTEOSA-N
XLogP4.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-chlorophenyl)-3-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100655735
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-(3,4-difluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652514
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100652435
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 133216596
1-(4-bromo-3-chlorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652452
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiourea
CID 100644151
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693807
1-(4-bromo-3-methylphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215512
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651983

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (CID 92693805) is 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The InChIKey is VFTGNHZDRXGAJX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-3-16(12-4-10-15(21-2)11-5-12)20-17(22)19-14-8-6-13(18)7-9-14/h4-11,16H,3H2,1-2H3,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea has a molecular weight of 334.87 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 92693805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).