1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea

C15H14ClFN2S — CID 8676542

IUPAC1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
SMILESC[C@H](NC(=S)Nc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2S/c1-10(11-6-8-12(16)9-7-11)18-15(20)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m0/s1
InChIKeyXJQRKCOXLSBOOJ-JTQLQIEISA-N
MW308.81 g/mol
LogP4.53
Rot. Bonds3

About 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea

1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea (PubChem CID 8676542) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
PubChem CID8676542
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
SMILESC[C@H](NC(=S)Nc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2S/c1-10(11-6-8-12(16)9-7-11)18-15(20)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m0/s1
InChIKeyXJQRKCOXLSBOOJ-JTQLQIEISA-N
XLogP4.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)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-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 19675054
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-(2,4-difluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512962
1-(2-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 92693799
1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]-3-(1-phenylethyl)thiourea
CID 133203149
1-[3-(4-chlorophenyl)sulfanyl-2-methylpropyl]-3-(2-fluorophenyl)thiourea
CID 3271545
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
CID 92512959

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea (CID 8676542) is 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea is C[C@H](NC(=S)Nc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea?
The InChIKey is XJQRKCOXLSBOOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClFN2S/c1-10(11-6-8-12(16)9-7-11)18-15(20)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H2,18,19,20)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea?
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea has a molecular weight of 308.81 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 8676542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).