(4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one

C23H16ClN3OS — CID 135753632

IUPAC(4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one
SMILES[H]/N=C1C(=C2\NC(c3ccc(Cl)cc3)=CS2)\CC(=O)N\1c1cccc2ccccc12
InChIInChI=1S/C23H16ClN3OS/c24-16-10-8-15(9-11-16)19-13-29-23(26-19)18-12-21(28)27(22(18)25)20-7-3-5-14-4-1-2-6-17(14)20/h1-11,13,25-26H,12H2/b23-18-,25-22+
InChIKeyGNBRAWMSDTUFFC-IZCISYPTSA-N
MW417.92 g/mol
LogP5.75
Rot. Bonds2

About (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one

(4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 135753632) has the molecular formula C23H16ClN3OS and a molecular weight of 417.92 g/mol. Its IUPAC name is (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one
PubChem CID135753632
Molecular FormulaC23H16ClN3OS
Molecular Weight417.92 g/mol
Exact Mass417.07
IUPAC Name(4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one
SMILES[H]/N=C1C(=C2\NC(c3ccc(Cl)cc3)=CS2)\CC(=O)N\1c1cccc2ccccc12
InChIInChI=1S/C23H16ClN3OS/c24-16-10-8-15(9-11-16)19-13-29-23(26-19)18-12-21(28)27(22(18)25)20-7-3-5-14-4-1-2-6-17(14)20/h1-11,13,25-26H,12H2/b23-18-,25-22+
InChIKeyGNBRAWMSDTUFFC-IZCISYPTSA-N
XLogP5.75
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.92
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one (CID 135753632) is (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one is [H]/N=C1C(=C2\NC(c3ccc(Cl)cc3)=CS2)\CC(=O)N\1c1cccc2ccccc12.
What is the InChIKey of (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is GNBRAWMSDTUFFC-IZCISYPTSA-N. The full InChI is InChI=1S/C23H16ClN3OS/c24-16-10-8-15(9-11-16)19-13-29-23(26-19)18-12-21(28)27(22(18)25)20-7-3-5-14-4-1-2-6-17(14)20/h1-11,13,25-26H,12H2/b23-18-,25-22+.
What are the key properties of (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one?
(4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 417.92 g/mol, XLogP of 5.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-5-imino-1-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 135753632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).