N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide

C22H17F2N3O3S — CID 4541655

About N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide

N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 4541655) has the molecular formula C22H17F2N3O3S and a molecular weight of 441.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
• PubChem CID: 4541655
• Molecular Formula: C22H17F2N3O3S
• Molecular Weight: 441.46 g/mol
• Exact Mass: 441.10
• IUPAC Name: N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
• SMILES: CCc1cccc2c1N=CC2=Cc1sc(=O)n(CC(=O)Nc2ccc(F)cc2F)c1O
• InChI: InChI=1S/C22H17F2N3O3S/c1-2-12-4-3-5-15-13(10-25-20(12)15)8-18-21(29)27(22(30)31-18)11-19(28)26-17-7-6-14(23)9-16(17)24/h3-10,29H,2,11H2,1H3,(H,26,28)
• InChIKey: LQIZNMIXOSPLJY-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 83.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.46
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?

The IUPAC name of N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide (CID 4541655) is N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?

The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide is CCc1cccc2c1N=CC2=Cc1sc(=O)n(CC(=O)Nc2ccc(F)cc2F)c1O.

What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?

The InChIKey is LQIZNMIXOSPLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3S/c1-2-12-4-3-5-15-13(10-25-20(12)15)8-18-21(29)27(22(30)31-18)11-19(28)26-17-7-6-14(23)9-16(17)24/h3-10,29H,2,11H2,1H3,(H,26,28).

What are the key properties of N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide?

N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 441.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 4541655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).