1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea

C15H16N2OS — CID 2873543

IUPAC1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea
SMILESOC(CNC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c18-14(12-7-3-1-4-8-12)11-16-15(19)17-13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H2,16,17,19)
InChIKeyXSGPVHATPHHRIG-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea

1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea (PubChem CID 2873543) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea
PubChem CID2873543
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea
SMILESOC(CNC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c18-14(12-7-3-1-4-8-12)11-16-15(19)17-13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H2,16,17,19)
InChIKeyXSGPVHATPHHRIG-UHFFFAOYSA-N
XLogP2.71
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.71
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

1-[1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-phenylthiourea
CID 4254738
2-((4-Aminophenethyl)amino)-1-phenylethanol hydrochloride, (R)-
CID 52953007
2-((4-Aminophenethyl)amino)-1-phenylethanol, (R)-
CID 52953008
3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
CID 11760542
1-(4-Chloro-2-methylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 2917547
2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
2-[2-[4-[(2-Hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
CID 22986860
1-(2,4-Dimethylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 2918685
3-[2-Hydroxy-2-(4-nitrophenyl)ethyl]-1-phenylthiourea
CID 2831245
2-[[4-(Diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 2983160
1-(3-Chloro-2-methylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 2917858
2-(N-methylanilino)-1-phenylethanol
CID 229629

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea (CID 2873543) is 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea is OC(CNC(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea?
The InChIKey is XSGPVHATPHHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-14(12-7-3-1-4-8-12)11-16-15(19)17-13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea?
1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea has a molecular weight of 272.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-3-phenylthiourea is sourced from PubChem (CID 2873543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).