2-benzhydryl-1,3-thiazolidine-4-carboxylic acid

C17H17NO2S — CID 107292847

IUPAC2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C17H17NO2S/c19-17(20)14-11-21-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-16,18H,11H2,(H,19,20)
InChIKeyXDZCEILFQOVVLF-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.93
Rot. Bonds4

About 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid

2-benzhydryl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107292847) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107292847
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C17H17NO2S/c19-17(20)14-11-21-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-16,18H,11H2,(H,19,20)
InChIKeyXDZCEILFQOVVLF-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
CID 107292848
(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67866973
(4R)-2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 57064523
(2S,4R)-2-[(1R,2S,3S,4S)-1,2,3,4-tetrahydroxypentyl]-1,3-thiazolidine-4-carboxylic acid
CID 124826108
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 43831490
(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 739068
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(2R,4R)-2-[(1S,2S,3S)-1,2,3,4-tetrahydroxybutyl]-1,3-thiazolidine-4-carboxylic acid
CID 92525462
2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 3141767
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid (CID 107292847) is 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XDZCEILFQOVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-17(20)14-11-21-16(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-16,18H,11H2,(H,19,20).
What are the key properties of 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid?
2-benzhydryl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107292847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).