N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C20H16FN3O2S — CID 94824026

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 94824026) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
• PubChem CID: 94824026
• Molecular Formula: C20H16FN3O2S
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.09
• IUPAC Name: N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
• SMILES: O=C(C[C@@H]1C(=O)Nc2ccccc21)/N=c1/sccn1Cc1ccccc1F
• InChI: InChI=1S/C20H16FN3O2S/c21-16-7-3-1-5-13(16)12-24-9-10-27-20(24)23-18(25)11-15-14-6-2-4-8-17(14)22-19(15)26/h1-10,15H,11-12H2,(H,22,26)/b23-20+/t15-/m0/s1
• InChIKey: UILIHIKCLVHNJA-OZZWHHLJSA-N
• XLogP: 3.29
• TPSA: 63.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?

The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 94824026) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?

The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is O=C(C[C@@H]1C(=O)Nc2ccccc21)/N=c1/sccn1Cc1ccccc1F.

What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?

The InChIKey is UILIHIKCLVHNJA-OZZWHHLJSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-16-7-3-1-5-13(16)12-24-9-10-27-20(24)23-18(25)11-15-14-6-2-4-8-17(14)22-19(15)26/h1-10,15H,11-12H2,(H,22,26)/b23-20+/t15-/m0/s1.

What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 94824026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).