1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea

C17H19FN2OS — CID 92512967

IUPAC1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
SMILESCCOc1ccccc1NC(=S)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-3-21-16-7-5-4-6-15(16)20-17(22)19-12(2)13-8-10-14(18)11-9-13/h4-12H,3H2,1-2H3,(H2,19,20,22)/t12-/m1/s1
InChIKeyAONNLTSEYXIEDF-GFCCVEGCSA-N
MW318.42 g/mol
LogP4.27
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea

1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea (PubChem CID 92512967) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
PubChem CID92512967
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
SMILESCCOc1ccccc1NC(=S)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2OS/c1-3-21-16-7-5-4-6-15(16)20-17(22)19-12(2)13-8-10-14(18)11-9-13/h4-12H,3H2,1-2H3,(H2,19,20,22)/t12-/m1/s1
InChIKeyAONNLTSEYXIEDF-GFCCVEGCSA-N
XLogP4.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)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-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092
1-(2-ethoxyphenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 100653732
1-(2-ethoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215505
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 7775056
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
CID 92512959
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
CID 53488862
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 19675054
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
1-(2,4-difluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512962
1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706087
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100733626

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea (CID 92512967) is 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea is CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea?
The InChIKey is AONNLTSEYXIEDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-3-21-16-7-5-4-6-15(16)20-17(22)19-12(2)13-8-10-14(18)11-9-13/h4-12H,3H2,1-2H3,(H2,19,20,22)/t12-/m1/s1.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea?
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea has a molecular weight of 318.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea is sourced from PubChem (CID 92512967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).