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

C39H42N4O8S2 — CID 144646142

IUPAC5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide
SMILESCCc1ccc(C(=O)COc2ccc(CC(SC)C(=O)NC=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C20H22N2O4S.C19H20N2O4S/c1-3-14-6-9-17(21-11-14)18(24)12-26-16-7-4-15(5-8-16)10-19(27-2)20(25)22-13-23;1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h4-9,11,13,19H,3,10,12H2,1-2H3,(H,22,23,25);3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)
InChIKeyWJPQLGYVWQNACU-UHFFFAOYSA-N
MW758.92 g/mol
LogP5.10
Rot. Bonds17

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

5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide (PubChem CID 144646142) has the molecular formula C39H42N4O8S2 and a molecular weight of 758.92 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide
PubChem CID144646142
Molecular FormulaC39H42N4O8S2
Molecular Weight758.92 g/mol
Exact Mass758.24
IUPAC Name5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide
SMILESCCc1ccc(C(=O)COc2ccc(CC(SC)C(=O)NC=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C20H22N2O4S.C19H20N2O4S/c1-3-14-6-9-17(21-11-14)18(24)12-26-16-7-4-15(5-8-16)10-19(27-2)20(25)22-13-23;1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h4-9,11,13,19H,3,10,12H2,1-2H3,(H,22,23,25);3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)
InChIKeyWJPQLGYVWQNACU-UHFFFAOYSA-N
XLogP5.10
TPSA173.88 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.92
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Related Compounds

Mitoglitazone
CID 10429242
(R)-3-[(2S,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid (3-methyl-pyridin-2-ylmethyl)-amide
CID 503790
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651402
5-(4-(2-(5-Ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione
CID 9864268
(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 40466907
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 36687794
(4R)-3-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-oxo-pentanoyl]-5,5-dimethyl-N-(2-pyridylmethyl)thiazolidine-4-carboxamide
CID 3006175
6-[2-[3-(4-Piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 24801052
Ldg4TR4tfe
CID 162625100
5-[[4-[2-Hydroxy-2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 13580527
5-[[4-(2-Hydroxy-2-pyridin-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 13580528

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide?
The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide (CID 144646142) is 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide.
What is the SMILES notation for 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide?
The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide is CCc1ccc(C(=O)COc2ccc(CC(SC)C(=O)NC=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.
What is the InChIKey of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide?
The InChIKey is WJPQLGYVWQNACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S.C19H20N2O4S/c1-3-14-6-9-17(21-11-14)18(24)12-26-16-7-4-15(5-8-16)10-19(27-2)20(25)22-13-23;1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h4-9,11,13,19H,3,10,12H2,1-2H3,(H,22,23,25);3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24).
What are the key properties of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide?
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide has a molecular weight of 758.92 g/mol, XLogP of 5.10, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]-N-formyl-2-methylsulfanylpropanamide is sourced from PubChem (CID 144646142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).