(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C10H9Cl2NO3S — CID 704035

IUPAC(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2cc(Cl)cc(Cl)c2O)N1
InChIInChI=1S/C10H9Cl2NO3S/c11-4-1-5(8(14)6(12)2-4)9-13-7(3-17-9)10(15)16/h1-2,7,9,13-14H,3H2,(H,15,16)/t7-,9+/m0/s1
InChIKeyARUVJGDFRGFHKM-IONNQARKSA-N
MW294.16 g/mol
LogP2.49
Rot. Bonds2

About (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 704035) has the molecular formula C10H9Cl2NO3S and a molecular weight of 294.16 g/mol. Its IUPAC name is (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID704035
Molecular FormulaC10H9Cl2NO3S
Molecular Weight294.16 g/mol
Exact Mass292.97
IUPAC Name(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](c2cc(Cl)cc(Cl)c2O)N1
InChIInChI=1S/C10H9Cl2NO3S/c11-4-1-5(8(14)6(12)2-4)9-13-7(3-17-9)10(15)16/h1-2,7,9,13-14H,3H2,(H,15,16)/t7-,9+/m0/s1
InChIKeyARUVJGDFRGFHKM-IONNQARKSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-3-chloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270129
[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate
CID 70512452
2-(3-chloro-4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 81145914
(4R)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 104881292
(4S)-2-(4-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774029
(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40649091
(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 83229962
(2S,4R)-2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 817643
(2R,4R)-2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 817644
2-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270150

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 704035) is (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@H](c2cc(Cl)cc(Cl)c2O)N1.
What is the InChIKey of (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ARUVJGDFRGFHKM-IONNQARKSA-N. The full InChI is InChI=1S/C10H9Cl2NO3S/c11-4-1-5(8(14)6(12)2-4)9-13-7(3-17-9)10(15)16/h1-2,7,9,13-14H,3H2,(H,15,16)/t7-,9+/m0/s1.
What are the key properties of (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 704035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).