(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

C92H96N8O8S4 — CID 123985893

About (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one (PubChem CID 123985893) has the molecular formula C92H96N8O8S4 and a molecular weight of 1570.10 g/mol. Its IUPAC name is (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
• PubChem CID: 123985893
• Molecular Formula: C92H96N8O8S4
• Molecular Weight: 1570.10 g/mol
• Exact Mass: 1568.62
• IUPAC Name: (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
• SMILES: CCC/N=C1\S/C(=C\c2ccc3c(c2)CCCO3)C(=O)N1c1cccc(C)c1C.CCC/N=C1\S/C(=C\c2ccc3c(c2)CCCO3)C(=O)N1c1ccccc1C.CCC/N=C1\S/C(=C\c2ccc3c(c2)CCO3)C(=O)N1c1cccc(C)c1C.CCC/N=C1\S/C(=C\c2ccc3c(c2)CCO3)C(=O)N1c1ccccc1C
• InChI: InChI=1S/C24H26N2O2S.2C23H24N2O2S.C22H22N2O2S/c1-4-12-25-24-26(20-9-5-7-16(2)17(20)3)23(27)22(29-24)15-18-10-11-21-19(14-18)8-6-13-28-21;1-4-11-24-23-25(19-7-5-6-15(2)16(19)3)22(26)21(28-23)14-17-8-9-20-18(13-17)10-12-27-20;1-3-12-24-23-25(19-9-5-4-7-16(19)2)22(26)21(28-23)15-17-10-11-20-18(14-17)8-6-13-27-20;1-3-11-23-22-24(18-7-5-4-6-15(18)2)21(25)20(27-22)14-16-8-9-19-17(13-16)10-12-26-19/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3;5-9,13-14H,4,10-12H2,1-3H3;4-5,7,9-11,14-15H,3,6,8,12-13H2,1-2H3;4-9,13-14H,3,10-12H2,1-2H3/b22-15-,25-24-;21-14-,24-23-;21-15-,24-23-;20-14-,23-22-
• InChIKey: PIWWAPGDFBYVFF-JJMUKPAXSA-N
• XLogP: 20.66
• TPSA: 167.60 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.10
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one (CID 123985893) is (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one is CCC/N=C1\S/C(=C\c2ccc3c(c2)CCCO3)C(=O)N1c1cccc(C)c1C.CCC/N=C1\S/C(=C\c2ccc3c(c2)CCCO3)C(=O)N1c1ccccc1C.CCC/N=C1\S/C(=C\c2ccc3c(c2)CCO3)C(=O)N1c1cccc(C)c1C.CCC/N=C1\S/C(=C\c2ccc3c(c2)CCO3)C(=O)N1c1ccccc1C.

What is the InChIKey of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

The InChIKey is PIWWAPGDFBYVFF-JJMUKPAXSA-N. The full InChI is InChI=1S/C24H26N2O2S.2C23H24N2O2S.C22H22N2O2S/c1-4-12-25-24-26(20-9-5-7-16(2)17(20)3)23(27)22(29-24)15-18-10-11-21-19(14-18)8-6-13-28-21;1-4-11-24-23-25(19-7-5-6-15(2)16(19)3)22(26)21(28-23)14-17-8-9-20-18(13-17)10-12-27-20;1-3-12-24-23-25(19-9-5-4-7-16(19)2)22(26)21(28-23)15-17-10-11-20-18(14-17)8-6-13-27-20;1-3-11-23-22-24(18-7-5-4-6-15(18)2)21(25)20(27-22)14-16-8-9-19-17(13-16)10-12-26-19/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3;5-9,13-14H,4,10-12H2,1-3H3;4-5,7,9-11,14-15H,3,6,8,12-13H2,1-2H3;4-9,13-14H,3,10-12H2,1-2H3/b22-15-,25-24-;21-14-,24-23-;21-15-,24-23-;20-14-,23-22-.

What are the key properties of (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one?

(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one has a molecular weight of 1570.10 g/mol, XLogP of 20.66, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2,3-dimethylphenyl)-2-propylimino-1,3-thiazolidin-4-one;(5Z)-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 123985893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).