5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one

C38H36N4O7S2 — CID 123535473

IUPAC5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one
SMILESCCc1ccc(C(C)COc2ccc(Cc3sc(=O)n(Cc4ccc(C(=O)COc5ccc(Cc6sc(=O)[nH]c6O)cc5)nc4)c3O)cc2)nc1
InChIInChI=1S/C38H36N4O7S2/c1-3-24-8-14-30(39-18-24)23(2)21-48-28-10-6-26(7-11-28)17-34-36(45)42(38(47)51-34)20-27-9-15-31(40-19-27)32(43)22-49-29-12-4-25(5-13-29)16-33-35(44)41-37(46)50-33/h4-15,18-19,23,44-45H,3,16-17,20-22H2,1-2H3,(H,41,46)
InChIKeyGRTDFTZUGQOQAC-UHFFFAOYSA-N
MW724.86 g/mol
LogP6.10
Rot. Bonds15

About 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one

5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one (PubChem CID 123535473) has the molecular formula C38H36N4O7S2 and a molecular weight of 724.86 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one
PubChem CID123535473
Molecular FormulaC38H36N4O7S2
Molecular Weight724.86 g/mol
Exact Mass724.20
IUPAC Name5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one
SMILESCCc1ccc(C(C)COc2ccc(Cc3sc(=O)n(Cc4ccc(C(=O)COc5ccc(Cc6sc(=O)[nH]c6O)cc5)nc4)c3O)cc2)nc1
InChIInChI=1S/C38H36N4O7S2/c1-3-24-8-14-30(39-18-24)23(2)21-48-28-10-6-26(7-11-28)17-34-36(45)42(38(47)51-34)20-27-9-15-31(40-19-27)32(43)22-49-29-12-4-25(5-13-29)16-33-35(44)41-37(46)50-33/h4-15,18-19,23,44-45H,3,16-17,20-22H2,1-2H3,(H,41,46)
InChIKeyGRTDFTZUGQOQAC-UHFFFAOYSA-N
XLogP6.10
TPSA156.63 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.86
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

Mitoglitazone
CID 10429242
(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 40466907
(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 36687794
tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-[4-[2-oxo-2-(2-pyridyl)ethoxy]phenyl]butyl]amino]-2-hydroxy-propyl]carbamate
CID 482012
4-[[4-[2-(5-Ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
CID 19391012
[3-[4-[(2,5-Dioxo-1,3-thiazolidin-4-yl)methyl]phenoxy]-2-(3-methyl-2-pyridinyl)propyl] benzoate
CID 23325411
5-[[4-[2-(5-Ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
CID 23651535
5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 46853275
Sodium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
CID 53353441
Potassium 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
CID 53354338
5-[[4-[2-(5-Ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 53354340
5-{4-[2-(5-Ethylpyridin-2-yl)-2-oxoethoxy]benzyl}-1,3-thiazolidine-2,4-dione sulfate
CID 53354440

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one (CID 123535473) is 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one is CCc1ccc(C(C)COc2ccc(Cc3sc(=O)n(Cc4ccc(C(=O)COc5ccc(Cc6sc(=O)[nH]c6O)cc5)nc4)c3O)cc2)nc1.
What is the InChIKey of 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one?
The InChIKey is GRTDFTZUGQOQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N4O7S2/c1-3-24-8-14-30(39-18-24)23(2)21-48-28-10-6-26(7-11-28)17-34-36(45)42(38(47)51-34)20-27-9-15-31(40-19-27)32(43)22-49-29-12-4-25(5-13-29)16-33-35(44)41-37(46)50-33/h4-15,18-19,23,44-45H,3,16-17,20-22H2,1-2H3,(H,41,46).
What are the key properties of 5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one?
5-[[4-[2-(5-ethyl-2-pyridinyl)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one has a molecular weight of 724.86 g/mol, XLogP of 6.10, 15 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)propoxy]phenyl]methyl]-4-hydroxy-3-[[6-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]acetyl]-3-pyridinyl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 123535473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).