N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide

C22H16ClN3O3S — CID 24568506

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide (PubChem CID 24568506) has the molecular formula C22H16ClN3O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide
• PubChem CID: 24568506
• Molecular Formula: C22H16ClN3O3S
• Molecular Weight: 437.91 g/mol
• Exact Mass: 437.06
• IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide
• SMILES: CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1
• InChI: InChI=1S/C22H16ClN3O3S/c1-13(27)24-15-8-6-14(7-9-15)18-12-30-22(25-18)26-21(28)20-11-10-19(29-20)16-4-2-3-5-17(16)23/h2-12H,1H3,(H,24,27)(H,25,26,28)
• InChIKey: KATVXGDIZNNOJD-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.91
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide (CID 24568506) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide.

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

The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1.

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

The InChIKey is KATVXGDIZNNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S/c1-13(27)24-15-8-6-14(7-9-15)18-12-30-22(25-18)26-21(28)20-11-10-19(29-20)16-4-2-3-5-17(16)23/h2-12H,1H3,(H,24,27)(H,25,26,28).

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide has a molecular weight of 437.91 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 24568506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).