3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one

C17H17NO2S — CID 6612438

IUPAC3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1CC(O)c1ccccc1
InChIInChI=1S/C17H17NO2S/c19-15(13-7-3-1-4-8-13)11-18-16(20)12-21-17(18)14-9-5-2-6-10-14/h1-10,15,17,19H,11-12H2
InChIKeyDXPPNENPUZKTGC-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.99
Rot. Bonds4

About 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one

3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 6612438) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID6612438
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1CC(O)c1ccccc1
InChIInChI=1S/C17H17NO2S/c19-15(13-7-3-1-4-8-13)11-18-16(20)12-21-17(18)14-9-5-2-6-10-14/h1-10,15,17,19H,11-12H2
InChIKeyDXPPNENPUZKTGC-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one (CID 6612438) is 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1CC(O)c1ccccc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is DXPPNENPUZKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-15(13-7-3-1-4-8-13)11-18-16(20)12-21-17(18)14-9-5-2-6-10-14/h1-10,15,17,19H,11-12H2.
What are the key properties of 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylethyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6612438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).