N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

C24H21ClN2O2S — CID 43836971

About N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 43836971) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
• PubChem CID: 43836971
• Molecular Formula: C24H21ClN2O2S
• Molecular Weight: 436.96 g/mol
• Exact Mass: 436.10
• IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
• SMILES: Cc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)sc1Cc1ccccc1Cl
• InChI: InChI=1S/C24H21ClN2O2S/c1-16-22(15-18-9-5-6-10-20(18)25)30-24(26-16)27-23(28)14-12-19-11-13-21(29-19)17-7-3-2-4-8-17/h2-11,13H,12,14-15H2,1H3,(H,26,27,28)
• InChIKey: GFSSRLGTAFEZEM-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.96
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 43836971) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is Cc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)sc1Cc1ccccc1Cl.

What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The InChIKey is GFSSRLGTAFEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-16-22(15-18-9-5-6-10-20(18)25)30-24(26-16)27-23(28)14-12-19-11-13-21(29-19)17-7-3-2-4-8-17/h2-11,13H,12,14-15H2,1H3,(H,26,27,28).

What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 436.96 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 43836971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).