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

C12H15NO2S — CID 61146631

IUPAC(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(C2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C12H15NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11?/m0/s1
InChIKeyOTYQAMRZSHKIGF-VUWPPUDQSA-N
MW237.32 g/mol
LogP2.04
Rot. Bonds3

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

(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61146631) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61146631
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(C2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C12H15NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11?/m0/s1
InChIKeyOTYQAMRZSHKIGF-VUWPPUDQSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
2-(4-ethylphenyl)-1,3-thiazinane-4-carboxylic acid
CID 54933770
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
2-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 19577907
(4R)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 102101973
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894
2-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 17026692
(4S)-2-(5-ethylfuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773986
(2R,4S)-2-(4-benzoyloxy-3-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7280010
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
(2R,4R)-2-(3-pentylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11087152
(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7045930

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 61146631) is (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid is CCc1ccc(C2N[C@H](C(=O)O)CS2)cc1.
What is the InChIKey of (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OTYQAMRZSHKIGF-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-6,10-11,13H,2,7H2,1H3,(H,14,15)/t10-,11?/m0/s1.
What are the key properties of (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 237.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61146631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).