5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid

C19H21NO9S2 — CID 53354542

IUPAC5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
SMILESCOc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)cc1.O=S(=O)(O)O
InChIInChI=1S/C19H19NO5S.H2O4S/c1-24-14-8-4-13(5-9-14)16(21)11-25-15-6-2-12(3-7-15)10-17-18(22)20-19(23)26-17;1-5(2,3)4/h2-9,16-17,21H,10-11H2,1H3,(H,20,22,23);(H2,1,2,3,4)/t16-,17?;/m0./s1
InChIKeyUQHLPSRZONQGKN-KHTASDDNSA-N
MW471.51 g/mol
LogP2.05
Rot. Bonds7

About 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid

5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid (PubChem CID 53354542) has the molecular formula C19H21NO9S2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid.

Molecular Properties

Compound Name5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
PubChem CID53354542
Molecular FormulaC19H21NO9S2
Molecular Weight471.51 g/mol
Exact Mass471.07
IUPAC Name5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
SMILESCOc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)cc1.O=S(=O)(O)O
InChIInChI=1S/C19H19NO5S.H2O4S/c1-24-14-8-4-13(5-9-14)16(21)11-25-15-6-2-12(3-7-15)10-17-18(22)20-19(23)26-17;1-5(2,3)4/h2-9,16-17,21H,10-11H2,1H3,(H,20,22,23);(H2,1,2,3,4)/t16-,17?;/m0./s1
InChIKeyUQHLPSRZONQGKN-KHTASDDNSA-N
XLogP2.05
TPSA159.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric 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

5-[[4-[2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46911037
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-[(2R)-2-hydroxy-2-(3-methoxycyclohexa-1,5-dien-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308065
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[[4-[(2R)-2-amino-4-methylpentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86748815
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
(5S)-5-[[4-[2-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 144936621
(5S)-5-[[4-[2-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 40636986
[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-2-(3-methoxyphenyl)propyl] propanoate
CID 88929157
[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-1-[4-(trifluoromethyl)phenyl]ethyl] sulfamate;hydrochloride
CID 53354029
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-(1-hydroxyethoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308111

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
The IUPAC name of 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid (CID 53354542) is 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid.
What is the SMILES notation for 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
The canonical SMILES for 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid is COc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)cc1.O=S(=O)(O)O.
What is the InChIKey of 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
The InChIKey is UQHLPSRZONQGKN-KHTASDDNSA-N. The full InChI is InChI=1S/C19H19NO5S.H2O4S/c1-24-14-8-4-13(5-9-14)16(21)11-25-15-6-2-12(3-7-15)10-17-18(22)20-19(23)26-17;1-5(2,3)4/h2-9,16-17,21H,10-11H2,1H3,(H,20,22,23);(H2,1,2,3,4)/t16-,17?;/m0./s1.
What are the key properties of 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid has a molecular weight of 471.51 g/mol, XLogP of 2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid is sourced from PubChem (CID 53354542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).