(5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one

C121H104F2N10O16S5 — CID 161217250

About (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 161217250) has the molecular formula C121H104F2N10O16S5 and a molecular weight of 2152.55 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one
• PubChem CID: 161217250
• Molecular Formula: C121H104F2N10O16S5
• Molecular Weight: 2152.55 g/mol
• Exact Mass: 2150.62
• IUPAC Name: (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one
• SMILES: CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)S/C1=N\Cc1ccc(F)cc1.COc1cccc(/N=C2\S/C(=C\c3ccc4c(c3)OCCO4)C(=O)N2c2ccccc2)c1.Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)S/C2=N\c2ccccc2)cc1.O=C1/C(=C/c2ccc3c(c2)OCCO3)S/C(=N\c2ccc(F)cc2)N1c1ccccc1.O=C1/C(=C/c2ccc3c(c2)OCCO3)S/C(=N\c2ccccc2)N1C1CCCCC1
• InChI: InChI=1S/C25H20N2O4S.C25H20N2O3S.C24H17FN2O3S.C24H24N2O3S.C23H23FN2O3S/c1-29-20-9-5-6-18(16-20)26-25-27(19-7-3-2-4-8-19)24(28)23(32-25)15-17-10-11-21-22(14-17)31-13-12-30-21;1-17-7-10-20(11-8-17)27-24(28)23(31-25(27)26-19-5-3-2-4-6-19)16-18-9-12-21-22(15-18)30-14-13-29-21;25-17-7-9-18(10-8-17)26-24-27(19-4-2-1-3-5-19)23(28)22(31-24)15-16-6-11-20-21(14-16)30-13-12-29-20;27-23-22(16-17-11-12-20-21(15-17)29-14-13-28-20)30-24(25-18-7-3-1-4-8-18)26(23)19-9-5-2-6-10-19;1-15(2)14-26-22(27)21(12-17-5-8-19-20(11-17)29-10-9-28-19)30-23(26)25-13-16-3-6-18(24)7-4-16/h2-11,14-16H,12-13H2,1H3;2-12,15-16H,13-14H2,1H3;1-11,14-15H,12-13H2;1,3-4,7-8,11-12,15-16,19H,2,5-6,9-10,13-14H2;3-8,11-12,15H,9-10,13-14H2,1-2H3/b23-15-,26-25-;23-16-,26-25-;22-15-,26-24-;22-16-,25-24-;21-12-,25-23-
• InChIKey: UXAKFJIWDHCCEH-YMJFBBIFSA-N
• XLogP: 26.38
• TPSA: 264.88 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.55
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 161217250) is (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)S/C1=N\Cc1ccc(F)cc1.COc1cccc(/N=C2\S/C(=C\c3ccc4c(c3)OCCO4)C(=O)N2c2ccccc2)c1.Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)S/C2=N\c2ccccc2)cc1.O=C1/C(=C/c2ccc3c(c2)OCCO3)S/C(=N\c2ccc(F)cc2)N1c1ccccc1.O=C1/C(=C/c2ccc3c(c2)OCCO3)S/C(=N\c2ccccc2)N1C1CCCCC1.

What is the InChIKey of (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one?

The InChIKey is UXAKFJIWDHCCEH-YMJFBBIFSA-N. The full InChI is InChI=1S/C25H20N2O4S.C25H20N2O3S.C24H17FN2O3S.C24H24N2O3S.C23H23FN2O3S/c1-29-20-9-5-6-18(16-20)26-25-27(19-7-3-2-4-8-19)24(28)23(32-25)15-17-10-11-21-22(14-17)31-13-12-30-21;1-17-7-10-20(11-8-17)27-24(28)23(31-25(27)26-19-5-3-2-4-6-19)16-18-9-12-21-22(15-18)30-14-13-29-21;25-17-7-9-18(10-8-17)26-24-27(19-4-2-1-3-5-19)23(28)22(31-24)15-16-6-11-20-21(14-16)30-13-12-29-20;27-23-22(16-17-11-12-20-21(15-17)29-14-13-28-20)30-24(25-18-7-3-1-4-8-18)26(23)19-9-5-2-6-10-19;1-15(2)14-26-22(27)21(12-17-5-8-19-20(11-17)29-10-9-28-19)30-23(26)25-13-16-3-6-18(24)7-4-16/h2-11,14-16H,12-13H2,1H3;2-12,15-16H,13-14H2,1H3;1-11,14-15H,12-13H2;1,3-4,7-8,11-12,15-16,19H,2,5-6,9-10,13-14H2;3-8,11-12,15H,9-10,13-14H2,1-2H3/b23-15-,26-25-;23-16-,26-25-;22-15-,26-24-;22-16-,25-24-;21-12-,25-23-.

What are the key properties of (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one?

(5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 2152.55 g/mol, XLogP of 26.38, 18 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-cyclohexyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-fluorophenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-[(4-fluorophenyl)methylimino]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-(4-methylphenyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 161217250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).