2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

About 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 18836459) has the molecular formula C31H27ClN4O3S and a molecular weight of 571.10 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name	2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID	18836459
Molecular Formula	C31H27ClN4O3S
Molecular Weight	571.10 g/mol
Exact Mass	570.15
IUPAC Name	2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILES	Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4cccc(Cl)c4)o3)N(CCc3ccccc3)C2=O)cc1
InChI	InChI=1S/C31H27ClN4O3S/c1-21-10-12-25(13-11-21)34-29(37)19-28-30(38)36(17-16-22-6-3-2-4-7-22)31(40-28)35-33-20-26-14-15-27(39-26)23-8-5-9-24(32)18-23/h2-15,18,20,28H,16-17,19H2,1H3,(H,34,37)/b33-20+,35-31-
InChIKey	SIKOMPOTGCLAGV-HKNZNSQSSA-N
XLogP	6.81
TPSA	87.27 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.10
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 18836459) is 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4cccc(Cl)c4)o3)N(CCc3ccccc3)C2=O)cc1.

What is the InChIKey of 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

The InChIKey is SIKOMPOTGCLAGV-HKNZNSQSSA-N. The full InChI is InChI=1S/C31H27ClN4O3S/c1-21-10-12-25(13-11-21)34-29(37)19-28-30(38)36(17-16-22-6-3-2-4-7-22)31(40-28)35-33-20-26-14-15-27(39-26)23-8-5-9-24(32)18-23/h2-15,18,20,28H,16-17,19H2,1H3,(H,34,37)/b33-20+,35-31-.

What are the key properties of 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?

2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 571.10 g/mol, XLogP of 6.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18836459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).