1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea

C16H17FN2OS — CID 8680475

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NCCOc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-12-6-2-4-8-14(12)19-16(21)18-10-11-20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H2,18,19,21)
InChIKeyIJPLXHJFDXKKTL-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.50
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea

1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea (PubChem CID 8680475) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea
PubChem CID8680475
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NCCOc1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-12-6-2-4-8-14(12)19-16(21)18-10-11-20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H2,18,19,21)
InChIKeyIJPLXHJFDXKKTL-UHFFFAOYSA-N
XLogP3.50
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
CID 17322071
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-(2-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8618240
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
CID 8563922
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
1-[3-(2-ethoxyphenyl)propyl]-3-(2-fluorophenyl)thiourea
CID 100614954
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
CID 19687280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea (CID 8680475) is 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NCCOc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea?
The InChIKey is IJPLXHJFDXKKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-12-6-2-4-8-14(12)19-16(21)18-10-11-20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea?
1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea has a molecular weight of 304.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8680475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).