1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea

C17H19ClN2OS — CID 92693807

IUPAC1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H19ClN2OS/c1-3-15(12-8-10-13(21-2)11-9-12)19-17(22)20-16-7-5-4-6-14(16)18/h4-11,15H,3H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyLNPLRDXAVZOPRU-HNNXBMFYSA-N
MW334.87 g/mol
LogP4.79
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea

1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (PubChem CID 92693807) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
PubChem CID92693807
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
SMILESCC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H19ClN2OS/c1-3-15(12-8-10-13(21-2)11-9-12)19-17(22)20-16-7-5-4-6-14(16)18/h4-11,15H,3H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyLNPLRDXAVZOPRU-HNNXBMFYSA-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-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 100651831
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-methylthiourea
CID 9218074
1-(4-bromo-3-chlorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652452
1-ethyl-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218078
ethyl 3-[1-(4-methoxyphenyl)propylcarbamothioylamino]-2-methylbenzoate
CID 133215531
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100653290
1-(3-ethoxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652655

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea (CID 92693807) is 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
The InChIKey is LNPLRDXAVZOPRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-3-15(12-8-10-13(21-2)11-9-12)19-17(22)20-16-7-5-4-6-14(16)18/h4-11,15H,3H2,1-2H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea?
1-(2-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-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea is sourced from PubChem (CID 92693807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).