(2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C11H12INO4S — CID 1120700

IUPAC(2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(I)c1O
InChIInChI=1S/C11H12INO4S/c1-17-8-3-5(2-6(12)9(8)14)10-13-7(4-18-10)11(15)16/h2-3,7,10,13-14H,4H2,1H3,(H,15,16)/t7-,10+/m0/s1
InChIKeyROUMZZOUHLDDPJ-OIBJUYFYSA-N
MW381.19 g/mol
LogP1.79
Rot. Bonds3

About (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 1120700) has the molecular formula C11H12INO4S and a molecular weight of 381.19 g/mol. Its IUPAC name is (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID1120700
Molecular FormulaC11H12INO4S
Molecular Weight381.19 g/mol
Exact Mass380.95
IUPAC Name(2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(I)c1O
InChIInChI=1S/C11H12INO4S/c1-17-8-3-5(2-6(12)9(8)14)10-13-7(4-18-10)11(15)16/h2-3,7,10,13-14H,4H2,1H3,(H,15,16)/t7-,10+/m0/s1
InChIKeyROUMZZOUHLDDPJ-OIBJUYFYSA-N
XLogP1.79
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-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

CID 2756583
CID 2756583
CID 53248659
CID 53248659
CID 327596
CID 327596
CID 2787980
CID 2787980
CID 3245693
CID 3245693
CID 5309548
CID 5309548
CID 2787098
CID 2787098
CID 208015
CID 208015
CID 6610613
CID 6610613
CID 12915755
CID 12915755
CID 124557
CID 124557
CID 327600
CID 327600

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 1120700) is (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(I)c1O.
What is the InChIKey of (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ROUMZZOUHLDDPJ-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H12INO4S/c1-17-8-3-5(2-6(12)9(8)14)10-13-7(4-18-10)11(15)16/h2-3,7,10,13-14H,4H2,1H3,(H,15,16)/t7-,10+/m0/s1.
What are the key properties of (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 381.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 1120700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).