(5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

C160H172N16O32S8 — CID 159477573

IUPAC(5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(C(=O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/6C20H22N2O4S.2C20H20N2O4S/c8*1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20/h6*4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);2*4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t2*17?,20-;2*17-,20+;2*17-,20-;2*20-/m10101010/s1
InChIKeyLWOSTTHXODJCDA-PGFZYRAHSA-N
MW3087.75 g/mol
LogP24.62
Rot. Bonds56

About (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

(5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 159477573) has the molecular formula C160H172N16O32S8 and a molecular weight of 3087.75 g/mol. Its IUPAC name is (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
PubChem CID159477573
Molecular FormulaC160H172N16O32S8
Molecular Weight3087.75 g/mol
Exact Mass3085.01
IUPAC Name(5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(C(=O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/6C20H22N2O4S.2C20H20N2O4S/c8*1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20/h6*4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);2*4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t2*17?,20-;2*17-,20+;2*17-,20-;2*20-/m10101010/s1
InChIKeyLWOSTTHXODJCDA-PGFZYRAHSA-N
XLogP24.62
TPSA701.84 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds56
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003087.75
LogP ≤ 524.62
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (CID 159477573) is (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is CCc1ccc(C(=O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.
What is the InChIKey of (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is LWOSTTHXODJCDA-PGFZYRAHSA-N. The full InChI is InChI=1S/6C20H22N2O4S.2C20H20N2O4S/c8*1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20/h6*4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);2*4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t2*17?,20-;2*17-,20+;2*17-,20-;2*20-/m10101010/s1.
What are the key properties of (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?
(5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 3087.75 g/mol, XLogP of 24.62, 56 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159477573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).