(5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C103H113F3N4O13S4 — CID 159798500

IUPAC(5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1c(F)cc(/C=C2\SC(=O)NC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1c(F)cc(/C=C2\SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(/C=C2\SC(=O)NC2=O)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\SC(=O)NC2=O)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H27F2NO3S.C26H28FNO3S.C26H29NO3S.C25H29NO4S/c1-13-9-16-17(26(4,5)8-7-25(16,2)3)12-15(13)20-21(28)14(10-18(27)22(20)32-6)11-19-23(30)29-24(31)33-19;1-14-9-18-19(26(4,5)8-7-25(18,2)3)13-16(14)17-10-15(11-20(27)22(17)31-6)12-21-23(29)28-24(30)32-21;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-18(15)17-8-7-16(12-21(17)30-6)13-22-23(28)27-24(29)31-22;1-24(2,3)17-12-15(13-18(21(17)27)25(4,5)6)16-10-14(8-9-19(16)30-7)11-20-22(28)26-23(29)31-20/h9-12H,7-8H2,1-6H3,(H,29,30,31);9-13H,7-8H2,1-6H3,(H,28,29,30);7-8,11-14H,9-10H2,1-6H3,(H,27,28,29);8-13,27H,1-7H3,(H,26,28,29)/b19-11-;21-12-;22-13-;20-11-
InChIKeyNJMBQMIGYKNBIA-OFCOPINUSA-N
MW1800.31 g/mol
LogP25.43
Rot. Bonds12

About (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 159798500) has the molecular formula C103H113F3N4O13S4 and a molecular weight of 1800.31 g/mol. Its IUPAC name is (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID159798500
Molecular FormulaC103H113F3N4O13S4
Molecular Weight1800.31 g/mol
Exact Mass1798.71
IUPAC Name(5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1c(F)cc(/C=C2\SC(=O)NC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1c(F)cc(/C=C2\SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(/C=C2\SC(=O)NC2=O)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\SC(=O)NC2=O)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H27F2NO3S.C26H28FNO3S.C26H29NO3S.C25H29NO4S/c1-13-9-16-17(26(4,5)8-7-25(16,2)3)12-15(13)20-21(28)14(10-18(27)22(20)32-6)11-19-23(30)29-24(31)33-19;1-14-9-18-19(26(4,5)8-7-25(18,2)3)13-16(14)17-10-15(11-20(27)22(17)31-6)12-21-23(29)28-24(30)32-21;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-18(15)17-8-7-16(12-21(17)30-6)13-22-23(28)27-24(29)31-22;1-24(2,3)17-12-15(13-18(21(17)27)25(4,5)6)16-10-14(8-9-19(16)30-7)11-20-22(28)26-23(29)31-20/h9-12H,7-8H2,1-6H3,(H,29,30,31);9-13H,7-8H2,1-6H3,(H,28,29,30);7-8,11-14H,9-10H2,1-6H3,(H,27,28,29);8-13,27H,1-7H3,(H,26,28,29)/b19-11-;21-12-;22-13-;20-11-
InChIKeyNJMBQMIGYKNBIA-OFCOPINUSA-N
XLogP25.43
TPSA241.83 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001800.31
LogP ≤ 525.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 159798500) is (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1c(F)cc(/C=C2\SC(=O)NC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1c(F)cc(/C=C2\SC(=O)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1cc(/C=C2\SC(=O)NC2=O)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\SC(=O)NC2=O)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NJMBQMIGYKNBIA-OFCOPINUSA-N. The full InChI is InChI=1S/C26H27F2NO3S.C26H28FNO3S.C26H29NO3S.C25H29NO4S/c1-13-9-16-17(26(4,5)8-7-25(16,2)3)12-15(13)20-21(28)14(10-18(27)22(20)32-6)11-19-23(30)29-24(31)33-19;1-14-9-18-19(26(4,5)8-7-25(18,2)3)13-16(14)17-10-15(11-20(27)22(17)31-6)12-21-23(29)28-24(30)32-21;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-18(15)17-8-7-16(12-21(17)30-6)13-22-23(28)27-24(29)31-22;1-24(2,3)17-12-15(13-18(21(17)27)25(4,5)6)16-10-14(8-9-19(16)30-7)11-20-22(28)26-23(29)31-20/h9-12H,7-8H2,1-6H3,(H,29,30,31);9-13H,7-8H2,1-6H3,(H,28,29,30);7-8,11-14H,9-10H2,1-6H3,(H,27,28,29);8-13,27H,1-7H3,(H,26,28,29)/b19-11-;21-12-;22-13-;20-11-.
What are the key properties of (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 1800.31 g/mol, XLogP of 25.43, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2,5-difluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-fluoro-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-methoxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159798500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).