3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid

C24H21NO3S — CID 42728478

IUPAC3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2)N1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3S/c26-22(21(17-10-4-1-5-11-17)18-12-6-2-7-13-18)25-20(24(27)28)16-29-23(25)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2,(H,27,28)
InChIKeyPCZAEKKRZPFFKD-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.55
Rot. Bonds5

About 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid

3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42728478) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID42728478
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccccc2)N1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3S/c26-22(21(17-10-4-1-5-11-17)18-12-6-2-7-13-18)25-20(24(27)28)16-29-23(25)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2,(H,27,28)
InChIKeyPCZAEKKRZPFFKD-UHFFFAOYSA-N
XLogP4.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
3-(4-hydroxy-4-phenyl-3-sulfanylidenebutanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 57225942
(2R,4R)-3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 93033477
3-acetyl-2-(2-deuteriophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 139903120
3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 85431501
(4R)-3-[(2S)-3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 22083894
3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728472
(4R)-3-[(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 70157320
2-methylpropyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809698
(2S,4S)-2-(3,4-dimethoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7226475
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
(2R)-2-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 91242899

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (CID 42728478) is 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccccc2)N1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PCZAEKKRZPFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3S/c26-22(21(17-10-4-1-5-11-17)18-12-6-2-7-13-18)25-20(24(27)28)16-29-23(25)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2,(H,27,28).
What are the key properties of 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 403.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42728478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).