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

C128H143N7O13S10 — CID 160586588

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

(5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 160586588) has the molecular formula C128H143N7O13S10 and a molecular weight of 2308.26 g/mol. Its IUPAC name is (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 160586588
• Molecular Formula: C128H143N7O13S10
• Molecular Weight: 2308.26 g/mol
• Exact Mass: 2305.80
• IUPAC Name: (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: COc1cc(O)c(/C=C2\SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1/C=C1\SC(=S)NC1=O.COc1ccc(/C=C2\SC(=S)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(/C=C2\SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cc(/C=C3\SC(=S)NC3=O)c(O)cc1O)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C27H31NO3S2.C26H29NO3S2.2C25H28N2O2S2.C25H27NO3S2/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;1-13-8-17-18(25(4,5)7-6-24(17,2)3)11-15(13)16-9-14(19(27)12-20(16)28)10-21-22(29)26-23(30)31-21/h10-14H,8-9H2,1-7H3,(H,28,29,32);9-13,28H,7-8H2,1-6H3,(H,27,29,31);9-13H,7-8H2,1-6H3,(H,27,28,30);7-8,11-13H,9-10H2,1-6H3,(H,27,28,30);8-12,27-28H,6-7H2,1-5H3,(H,26,29,30)/b23-12-;22-11-;20-11-;20-12-;21-10-
• InChIKey: RCLXABGGFCNZPH-UDUPUIEJSA-N
• XLogP: 30.45
• TPSA: 278.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2308.26
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 160586588) is (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cc(O)c(/C=C2\SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1/C=C1\SC(=S)NC1=O.COc1ccc(/C=C2\SC(=S)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(/C=C2\SC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.Cc1cc2c(cc1-c1cc(/C=C3\SC(=S)NC3=O)c(O)cc1O)C(C)(C)CCC2(C)C.

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

The InChIKey is RCLXABGGFCNZPH-UDUPUIEJSA-N. The full InChI is InChI=1S/C27H31NO3S2.C26H29NO3S2.2C25H28N2O2S2.C25H27NO3S2/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;1-13-8-17-18(25(4,5)7-6-24(17,2)3)11-15(13)16-9-14(19(27)12-20(16)28)10-21-22(29)26-23(30)31-21/h10-14H,8-9H2,1-7H3,(H,28,29,32);9-13,28H,7-8H2,1-6H3,(H,27,29,31);9-13H,7-8H2,1-6H3,(H,27,28,30);7-8,11-13H,9-10H2,1-6H3,(H,27,28,30);8-12,27-28H,6-7H2,1-5H3,(H,26,29,30)/b23-12-;22-11-;20-11-;20-12-;21-10-.

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

(5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 2308.26 g/mol, XLogP of 30.45, 15 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2,4-dihydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 160586588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).