2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

C23H23N3O2S — CID 22170620

About 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22170620) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 22170620
• Molecular Formula: C23H23N3O2S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.15
• IUPAC Name: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: CC(C)c1cnc(NC(=O)C(C)c2ccc(N3Cc4ccccc4C3=O)cc2)s1
• InChI: InChI=1S/C23H23N3O2S/c1-14(2)20-12-24-23(29-20)25-21(27)15(3)16-8-10-18(11-9-16)26-13-17-6-4-5-7-19(17)22(26)28/h4-12,14-15H,13H2,1-3H3,(H,24,25,27)
• InChIKey: YKNODLIPJRGBNS-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 22170620) is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1cnc(NC(=O)C(C)c2ccc(N3Cc4ccccc4C3=O)cc2)s1.

What is the InChIKey of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is YKNODLIPJRGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14(2)20-12-24-23(29-20)25-21(27)15(3)16-8-10-18(11-9-16)26-13-17-6-4-5-7-19(17)22(26)28/h4-12,14-15H,13H2,1-3H3,(H,24,25,27).

What are the key properties of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 405.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22170620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).