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

C24H23N3O3S — CID 137076700

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

N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide (PubChem CID 137076700) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide
• PubChem CID: 137076700
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-(3,4-dimethylphenyl)-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(C)c(C)c2)c1O
• InChI: InChI=1S/C24H23N3O3S/c1-4-16-6-5-7-19-17(12-25-22(16)19)11-20-23(29)27(24(30)31-20)13-21(28)26-18-9-8-14(2)15(3)10-18/h5-12,29H,4,13H2,1-3H3,(H,26,28)
• InChIKey: CBXXJHPCVXPQQO-UHFFFAOYSA-N
• XLogP: 4.69
• 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	433.53
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide (CID 137076700) is N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide.

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

The canonical SMILES for N-(3,4-dimethylphenyl)-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(C)c(C)c2)c1O.

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

The InChIKey is CBXXJHPCVXPQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-4-16-6-5-7-19-17(12-25-22(16)19)11-20-23(29)27(24(30)31-20)13-21(28)26-18-9-8-14(2)15(3)10-18/h5-12,29H,4,13H2,1-3H3,(H,26,28).

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

N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-[5-[(7-ethylindol-3-ylidene)methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 137076700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).