N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C19H16ClN5O4S2 — CID 137213568

About N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 137213568) has the molecular formula C19H16ClN5O4S2 and a molecular weight of 477.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 137213568
• Molecular Formula: C19H16ClN5O4S2
• Molecular Weight: 477.96 g/mol
• Exact Mass: 477.03
• IUPAC Name: N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1SC(=NN=C2CSC(=O)N2)N(Cc2ccco2)C1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C19H16ClN5O4S2/c20-11-3-5-12(6-4-11)21-16(26)8-14-17(27)25(9-13-2-1-7-29-13)18(31-14)24-23-15-10-30-19(28)22-15/h1-7,14H,8-10H2,(H,21,26)(H,22,23,28)
• InChIKey: RSJXAQBGWJZTAC-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 116.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.96
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 137213568) is N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is O=C(CC1SC(=NN=C2CSC(=O)N2)N(Cc2ccco2)C1=O)Nc1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is RSJXAQBGWJZTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4S2/c20-11-3-5-12(6-4-11)21-16(26)8-14-17(27)25(9-13-2-1-7-29-13)18(31-14)24-23-15-10-30-19(28)22-15/h1-7,14H,8-10H2,(H,21,26)(H,22,23,28).

What are the key properties of N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 477.96 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 137213568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).