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

C12H14N2O3S — CID 11242572

IUPAC(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(C2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C12H14N2O3S/c1-7(15)13-9-4-2-8(3-5-9)11-14-10(6-18-11)12(16)17/h2-5,10-11,14H,6H2,1H3,(H,13,15)(H,16,17)/t10-,11?/m0/s1
InChIKeyUCWVNLWPXJNEEK-VUWPPUDQSA-N
MW266.32 g/mol
LogP1.43
Rot. Bonds3

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

(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 11242572) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID11242572
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(C2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C12H14N2O3S/c1-7(15)13-9-4-2-8(3-5-9)11-14-10(6-18-11)12(16)17/h2-5,10-11,14H,6H2,1H3,(H,13,15)(H,16,17)/t10-,11?/m0/s1
InChIKeyUCWVNLWPXJNEEK-VUWPPUDQSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
(4R)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 102101973
(4R)-2-(4-acetamidophenyl)-N-acetyl-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 46231969
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894
6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid
CID 16758877
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230
(4R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 12915760
(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712
(4R)-2-[4-[(2-chloroacetyl)amino]phenyl]-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 46232043
2-phenyl-1,3-thiazolidine-4-carbohydrazide
CID 3064949
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 5170925

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 11242572) is (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid is CC(=O)Nc1ccc(C2N[C@H](C(=O)O)CS2)cc1.
What is the InChIKey of (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UCWVNLWPXJNEEK-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7(15)13-9-4-2-8(3-5-9)11-14-10(6-18-11)12(16)17/h2-5,10-11,14H,6H2,1H3,(H,13,15)(H,16,17)/t10-,11?/m0/s1.
What are the key properties of (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 11242572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).