2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid

C20H21NO4S — CID 42728839

IUPAC2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(=O)N1C(C(=O)O)CSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO4S/c1-2-18(22)21-17(20(23)24)13-26-19(21)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3,(H,23,24)
InChIKeyOKTUIGOUSMIBLW-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid

2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42728839) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID42728839
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(=O)N1C(C(=O)O)CSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO4S/c1-2-18(22)21-17(20(23)24)13-26-19(21)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3,(H,23,24)
InChIKeyOKTUIGOUSMIBLW-UHFFFAOYSA-N
XLogP3.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloropropanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728854
(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 23877584
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-phenylmethoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729302
3-(4-butoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728488
3-(3,3-dimethylbutanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729292
(4R)-3-(3-benzoylsulfanylpropanoyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 12812637
3-benzoyl-N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3335889
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
3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 141031782
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
(2R)-1-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66700307

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid (CID 42728839) is 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid is CCC(=O)N1C(C(=O)O)CSC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OKTUIGOUSMIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-2-18(22)21-17(20(23)24)13-26-19(21)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,17,19H,2,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 371.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42728839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).