(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C18H19NO3S — CID 153321239

IUPAC(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccccc1C1(Cc2ccccc2)N[C@H](C(=O)O)CS1
InChIInChI=1S/C18H19NO3S/c1-22-16-10-6-5-9-14(16)18(11-13-7-3-2-4-8-13)19-15(12-23-18)17(20)21/h2-10,15,19H,11-12H2,1H3,(H,20,21)/t15-,18?/m0/s1
InChIKeyVFNSQFKVXNNEHR-BUSXIPJBSA-N
MW329.42 g/mol
LogP2.88
Rot. Bonds5

About (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 153321239) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID153321239
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1ccccc1C1(Cc2ccccc2)N[C@H](C(=O)O)CS1
InChIInChI=1S/C18H19NO3S/c1-22-16-10-6-5-9-14(16)18(11-13-7-3-2-4-8-13)19-15(12-23-18)17(20)21/h2-10,15,19H,11-12H2,1H3,(H,20,21)/t15-,18?/m0/s1
InChIKeyVFNSQFKVXNNEHR-BUSXIPJBSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 80500514
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 80500608
2-[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 144849554
2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500707
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
1',1'-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydronaphthalene]-4-carboxylic acid
CID 80500616
2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 174562699
(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid
CID 107774058
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873

Frequently Asked Questions

What is the IUPAC name of (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 153321239) is (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1ccccc1C1(Cc2ccccc2)N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VFNSQFKVXNNEHR-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-16-10-6-5-9-14(16)18(11-13-7-3-2-4-8-13)19-15(12-23-18)17(20)21/h2-10,15,19H,11-12H2,1H3,(H,20,21)/t15-,18?/m0/s1.
What are the key properties of (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 329.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 153321239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).