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

C24H21ClN2O3S — CID 22333366

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

3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 22333366) has the molecular formula C24H21ClN2O3S and a molecular weight of 452.96 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 22333366
• Molecular Formula: C24H21ClN2O3S
• Molecular Weight: 452.96 g/mol
• Exact Mass: 452.10
• IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
• SMILES: COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(Cl)cc4)o3)s2)cc1
• InChI: InChI=1S/C24H21ClN2O3S/c1-29-19-8-2-16(3-9-19)14-21-15-26-24(31-21)27-23(28)13-11-20-10-12-22(30-20)17-4-6-18(25)7-5-17/h2-10,12,15H,11,13-14H2,1H3,(H,26,27,28)
• InChIKey: UXIBJNIORUHIBV-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.96
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 22333366) is 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide is COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(Cl)cc4)o3)s2)cc1.

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

The InChIKey is UXIBJNIORUHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S/c1-29-19-8-2-16(3-9-19)14-21-15-26-24(31-21)27-23(28)13-11-20-10-12-22(30-20)17-4-6-18(25)7-5-17/h2-10,12,15H,11,13-14H2,1H3,(H,26,27,28).

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

3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 452.96 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)furan-2-yl]-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 22333366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).