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

C103H124N6O10S8 — CID 158402901

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

5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 158402901) has the molecular formula C103H124N6O10S8 and a molecular weight of 1862.69 g/mol. Its IUPAC name is 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 158402901
• Molecular Formula: C103H124N6O10S8
• Molecular Weight: 1862.69 g/mol
• Exact Mass: 1860.71
• IUPAC Name: 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: COc1cc(O)c(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1CC1SC(=S)NC1=O.COc1ccc(CC2SC(=S)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C27H33NO3S2.C26H31NO3S2.2C25H30N2O2S2/c1-15-10-19-20(27(4,5)9-8-26(19,2)3)13-17(15)18-11-16(21(30-6)14-22(18)31-7)12-23-24(29)28-25(32)33-23;1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(20(28)13-21(17)30-6)11-22-23(29)27-24(31)32-22;1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)29-6)11-20-21(28)27-23(30)31-20;1-14-11-17-18(25(4,5)10-9-24(17,2)3)13-16(14)21-19(29-6)8-7-15(26-21)12-20-22(28)27-23(30)31-20/h10-11,13-14,23H,8-9,12H2,1-7H3,(H,28,29,32);9-10,12-13,22,28H,7-8,11H2,1-6H3,(H,27,29,31);9-10,12-13,20H,7-8,11H2,1-6H3,(H,27,28,30);7-8,11,13,20H,9-10,12H2,1-6H3,(H,27,28,30)
• InChIKey: GYHYZWYLHQFEPU-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 208.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.69
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 158402901) is 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cc(O)c(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1CC1SC(=S)NC1=O.COc1ccc(CC2SC(=S)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(CC2SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.

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

The InChIKey is GYHYZWYLHQFEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3S2.C26H31NO3S2.2C25H30N2O2S2/c1-15-10-19-20(27(4,5)9-8-26(19,2)3)13-17(15)18-11-16(21(30-6)14-22(18)31-7)12-23-24(29)28-25(32)33-23;1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(20(28)13-21(17)30-6)11-22-23(29)27-24(31)32-22;1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)29-6)11-20-21(28)27-23(30)31-20;1-14-11-17-18(25(4,5)10-9-24(17,2)3)13-16(14)21-19(29-6)8-7-15(26-21)12-20-22(28)27-23(30)31-20/h10-11,13-14,23H,8-9,12H2,1-7H3,(H,28,29,32);9-10,12-13,22,28H,7-8,11H2,1-6H3,(H,27,29,31);9-10,12-13,20H,7-8,11H2,1-6H3,(H,27,28,30);7-8,11,13,20H,9-10,12H2,1-6H3,(H,27,28,30).

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

5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 1862.69 g/mol, XLogP of 22.82, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[2-hydroxy-4-methoxy-5-(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]-2-sulfanylidene-1,3-thiazolidin-4-one;5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 158402901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).