[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone

C29H25NO2S — CID 93114995

IUPAC[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H25NO2S/c31-28(25-13-11-24(12-14-25)23-9-5-2-6-10-23)30-19-20-33-29(30)26-15-17-27(18-16-26)32-21-22-7-3-1-4-8-22/h1-18,29H,19-21H2/t29-/m1/s1
InChIKeyLJLAJTDFPPBAKP-GDLZYMKVSA-N
MW451.59 g/mol
LogP6.82
Rot. Bonds6

About [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone

[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone (PubChem CID 93114995) has the molecular formula C29H25NO2S and a molecular weight of 451.59 g/mol. Its IUPAC name is [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
PubChem CID93114995
Molecular FormulaC29H25NO2S
Molecular Weight451.59 g/mol
Exact Mass451.16
IUPAC Name[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H25NO2S/c31-28(25-13-11-24(12-14-25)23-9-5-2-6-10-23)30-19-20-33-29(30)26-15-17-27(18-16-26)32-21-22-7-3-1-4-8-22/h1-18,29H,19-21H2/t29-/m1/s1
InChIKeyLJLAJTDFPPBAKP-GDLZYMKVSA-N
XLogP6.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3402926
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
CID 100713336
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone (CID 93114995) is [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is LJLAJTDFPPBAKP-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H25NO2S/c31-28(25-13-11-24(12-14-25)23-9-5-2-6-10-23)30-19-20-33-29(30)26-15-17-27(18-16-26)32-21-22-7-3-1-4-8-22/h1-18,29H,19-21H2/t29-/m1/s1.
What are the key properties of [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 451.59 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 93114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).