1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea

C15H15FN2S — CID 2298907

IUPAC1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
SMILESFc1ccccc1NC(=S)NCCc1ccccc1
InChIInChI=1S/C15H15FN2S/c16-13-8-4-5-9-14(13)18-15(19)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyHXRWKTPKJKOBAB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea

1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea (PubChem CID 2298907) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
PubChem CID2298907
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
SMILESFc1ccccc1NC(=S)NCCc1ccccc1
InChIInChI=1S/C15H15FN2S/c16-13-8-4-5-9-14(13)18-15(19)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19)
InChIKeyHXRWKTPKJKOBAB-UHFFFAOYSA-N
XLogP3.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea
CID 2349997
1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
CID 7939289
1-(2-fluorophenyl)-3-[(2S)-4-phenylbutan-2-yl]thiourea
CID 8668898
1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-phenylethyl)thiourea
CID 87655378
1-(2-chloro-4-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 8669067
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 8617762
1-(2-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8618240
1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756080
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
CID 4848241
1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 5178694
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 10044752

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea (CID 2298907) is 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea is Fc1ccccc1NC(=S)NCCc1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea?
The InChIKey is HXRWKTPKJKOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c16-13-8-4-5-9-14(13)18-15(19)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,17,18,19).
What are the key properties of 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea?
1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea has a molecular weight of 274.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2298907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).