N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

C24H22N2O2S — CID 16648903

About N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 16648903) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
• PubChem CID: 16648903
• Molecular Formula: C24H22N2O2S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.14
• IUPAC Name: N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
• SMILES: Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)c1
• InChI: InChI=1S/C24H22N2O2S/c1-17-6-5-7-18(14-17)15-21-16-25-24(29-21)26-23(27)13-11-20-10-12-22(28-20)19-8-3-2-4-9-19/h2-10,12,14,16H,11,13,15H2,1H3,(H,25,26,27)
• InChIKey: OZWZWOROGIKWDU-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The IUPAC name of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 16648903) is N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

What is the SMILES notation for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The canonical SMILES for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)c1.

What is the InChIKey of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The InChIKey is OZWZWOROGIKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-17-6-5-7-18(14-17)15-21-16-25-24(29-21)26-23(27)13-11-20-10-12-22(28-20)19-8-3-2-4-9-19/h2-10,12,14,16H,11,13,15H2,1H3,(H,25,26,27).

What are the key properties of N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 16648903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).