(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate

C135H134N12O27S6 — CID 159691920

About (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate

(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate (PubChem CID 159691920) has the molecular formula C135H134N12O27S6 and a molecular weight of 2549.02 g/mol. Its IUPAC name is (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate.

Molecular Properties

• Compound Name: (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate
• PubChem CID: 159691920
• Molecular Formula: C135H134N12O27S6
• Molecular Weight: 2549.02 g/mol
• Exact Mass: 2546.78
• IUPAC Name: (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate
• SMILES: C=C1NC(=O)[C@](C)(Cc2ccc(OCC(=O)c3ccc(CC)cn3)cc2)S1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.C[C@@]1(Cc2ccc(OCCc3ccc(CC(=O)O)cn3)cc2)SC(=O)NC1=O.C[C@]1(Cc2ccc(OCCc3ccc(CC(=O)O)cn3)cc2)SC(=O)NC1=O
• InChI: InChI=1S/2C27H26N2O5S.C21H22N2O3S.2C20H20N2O5S.C20H20N2O4S/c2*1-18(34-24(30)20-6-4-3-5-7-20)21-10-11-22(28-17-21)14-15-33-23-12-8-19(9-13-23)16-27(2)25(31)29-26(32)35-27;1-4-15-7-10-18(22-12-15)19(24)13-26-17-8-5-16(6-9-17)11-21(3)20(25)23-14(2)27-21;2*1-20(18(25)22-19(26)28-20)11-13-3-6-16(7-4-13)27-9-8-15-5-2-14(12-21-15)10-17(23)24;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/h2*3-13,17-18H,14-16H2,1-2H3,(H,29,31,32);5-10,12H,2,4,11,13H2,1,3H3,(H,23,25);2*2-7,12H,8-11H2,1H3,(H,23,24)(H,22,25,26);4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t2*18?,27-;21-;3*20-/m100101/s1
• InChIKey: MWNIBXJGHPRAJJ-AKDGGIAKSA-N
• XLogP: 21.77
• TPSA: 554.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 48
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2549.02
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate?

The IUPAC name of (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate (CID 159691920) is (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate.

What is the SMILES notation for (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate?

The canonical SMILES for (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate is C=C1NC(=O)[C@](C)(Cc2ccc(OCC(=O)c3ccc(CC)cn3)cc2)S1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(C[C@]3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(C[C@@]3(C)SC(=O)NC3=O)cc2)nc1.C[C@@]1(Cc2ccc(OCCc3ccc(CC(=O)O)cn3)cc2)SC(=O)NC1=O.C[C@]1(Cc2ccc(OCCc3ccc(CC(=O)O)cn3)cc2)SC(=O)NC1=O.

What is the InChIKey of (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate?

The InChIKey is MWNIBXJGHPRAJJ-AKDGGIAKSA-N. The full InChI is InChI=1S/2C27H26N2O5S.C21H22N2O3S.2C20H20N2O5S.C20H20N2O4S/c2*1-18(34-24(30)20-6-4-3-5-7-20)21-10-11-22(28-17-21)14-15-33-23-12-8-19(9-13-23)16-27(2)25(31)29-26(32)35-27;1-4-15-7-10-18(22-12-15)19(24)13-26-17-8-5-16(6-9-17)11-21(3)20(25)23-14(2)27-21;2*1-20(18(25)22-19(26)28-20)11-13-3-6-16(7-4-13)27-9-8-15-5-2-14(12-21-15)10-17(23)24;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/h2*3-13,17-18H,14-16H2,1-2H3,(H,29,31,32);5-10,12H,2,4,11,13H2,1,3H3,(H,23,25);2*2-7,12H,8-11H2,1H3,(H,23,24)(H,22,25,26);4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t2*18?,27-;21-;3*20-/m100101/s1.

What are the key properties of (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate?

(5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate has a molecular weight of 2549.02 g/mol, XLogP of 21.77, 48 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-2-methylidene-1,3-thiazolidin-4-one;(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;2-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;2-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]acetic acid;1-[6-[2-[4-[[(5S)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[[(5R)-5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate is sourced from PubChem (CID 159691920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).