2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide

C20H18N4O4S — CID 7974073

About 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide

2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 7974073) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
• PubChem CID: 7974073
• Molecular Formula: C20H18N4O4S
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.10
• IUPAC Name: 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
• SMILES: O=C(C[C@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1
• InChI: InChI=1S/C20H18N4O4S/c25-18(21-14-7-4-8-16(11-14)24(27)28)12-17-19(26)23(15-9-10-15)20(29-17)22-13-5-2-1-3-6-13/h1-8,11,15,17H,9-10,12H2,(H,21,25)/b22-20-/t17-/m1/s1
• InChIKey: LVKJCSOPUFJXNU-SLNYWTKHSA-N
• XLogP: 3.72
• TPSA: 104.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide?

The IUPAC name of 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide (CID 7974073) is 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide.

What is the SMILES notation for 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide?

The canonical SMILES for 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide is O=C(C[C@H]1S/C(=N\c2ccccc2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1.

What is the InChIKey of 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide?

The InChIKey is LVKJCSOPUFJXNU-SLNYWTKHSA-N. The full InChI is InChI=1S/C20H18N4O4S/c25-18(21-14-7-4-8-16(11-14)24(27)28)12-17-19(26)23(15-9-10-15)20(29-17)22-13-5-2-1-3-6-13/h1-8,11,15,17H,9-10,12H2,(H,21,25)/b22-20-/t17-/m1/s1.

What are the key properties of 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide?

2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 410.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 7974073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).