5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione

C102H122N6O12S5 — CID 161224246

About 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 161224246) has the molecular formula C102H122N6O12S5 and a molecular weight of 1784.46 g/mol. Its IUPAC name is 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 161224246
• Molecular Formula: C102H122N6O12S5
• Molecular Weight: 1784.46 g/mol
• Exact Mass: 1782.77
• IUPAC Name: 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: COc1cc(O)c(CC2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(CC2SC(=O)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(CC2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C26H31NO4S.C26H31NO2S2.2C25H30N2O3S/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(20(28)13-21(17)31-6)11-22-23(29)27-24(30)32-22;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-21(18)29-6)13-22-23(28)27-24(30)31-22;1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)30-6)11-20-21(28)27-23(29)31-20;1-14-11-17-18(25(4,5)10-9-24(17,2)3)13-16(14)21-19(30-6)8-7-15(26-21)12-20-22(28)27-23(29)31-20/h9-10,12-13,22,28H,7-8,11H2,1-6H3,(H,27,29,30);7-8,11-12,14,22H,9-10,13H2,1-6H3,(H,27,28,30);9-10,12-13,20H,7-8,11H2,1-6H3,(H,27,28,29);7-8,11,13,20H,9-10,12H2,1-6H3,(H,27,28,29)
• InChIKey: UXXIYDRBQQBLTM-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 250.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.46
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (CID 161224246) is 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is COc1cc(O)c(CC2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(CC2SC(=O)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(CC2SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.

What is the InChIKey of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is UXXIYDRBQQBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4S.C26H31NO2S2.2C25H30N2O3S/c1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(20(28)13-21(17)31-6)11-22-23(29)27-24(30)32-22;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-21(18)29-6)13-22-23(28)27-24(30)31-22;1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)30-6)11-20-21(28)27-23(29)31-20;1-14-11-17-18(25(4,5)10-9-24(17,2)3)13-16(14)21-19(30-6)8-7-15(26-21)12-20-22(28)27-23(29)31-20/h9-10,12-13,22,28H,7-8,11H2,1-6H3,(H,27,29,30);7-8,11-12,14,22H,9-10,13H2,1-6H3,(H,27,28,30);9-10,12-13,20H,7-8,11H2,1-6H3,(H,27,28,29);7-8,11,13,20H,9-10,12H2,1-6H3,(H,27,28,29).

What are the key properties of 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 1784.46 g/mol, XLogP of 22.32, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 161224246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).