1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea

C15H15FN2OS — CID 799934

IUPAC1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
SMILESO[C@@H](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)/t14-/m0/s1
InChIKeyCQOFVOYTTOVJTE-AWEZNQCLSA-N
MW290.36 g/mol
LogP2.85
Rot. Bonds4

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

1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea (PubChem CID 799934) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
PubChem CID799934
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
SMILESO[C@@H](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)/t14-/m0/s1
InChIKeyCQOFVOYTTOVJTE-AWEZNQCLSA-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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Related Compounds

N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
CID 2883346
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 799360
1-(4-fluorophenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8654152
1-[2,2-bis(1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)thiourea
CID 172720447
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 4533202
1-(4-tert-butylphenyl)-3-(2,2-diphenylethyl)thiourea
CID 3281911
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-(4-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 9217668
1-(2,3-dimethylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 4160327

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea (CID 799934) is 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea is O[C@@H](CNC(=S)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
The InChIKey is CQOFVOYTTOVJTE-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea?
1-(4-fluorophenyl)-3-[(2R)-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-[(2R)-2-hydroxy-2-phenylethyl]thiourea is sourced from PubChem (CID 799934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).