1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea

C15H15FN2OS — CID 2918353

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
SMILESOC(CNC(=S)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FN2OS/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKeyCQOFVOYTTOVJTE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea

1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea (PubChem CID 2918353) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
PubChem CID2918353
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
SMILESOC(CNC(=S)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FN2OS/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKeyCQOFVOYTTOVJTE-UHFFFAOYSA-N
XLogP2.85
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea (CID 2918353) is 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea is OC(CNC(=S)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea?
The InChIKey is CQOFVOYTTOVJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-12-6-8-13(9-7-12)18-15(20)17-10-14(19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20).
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea?
1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea has a molecular weight of 290.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-2-phenylethyl)thiourea is sourced from PubChem (CID 2918353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).