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

C23H17ClN2O3S — CID 18270106

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

5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 18270106) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 18270106
• Molecular Formula: C23H17ClN2O3S
• Molecular Weight: 436.92 g/mol
• Exact Mass: 436.06
• IUPAC Name: 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)o2)cc1
• InChI: InChI=1S/C23H17ClN2O3S/c1-14(27)16-4-6-17(7-5-16)20-10-11-21(29-20)22(28)26-23-25-13-19(30-23)12-15-2-8-18(24)9-3-15/h2-11,13H,12H2,1H3,(H,25,26,28)
• InChIKey: DTWDRPZWGINYNG-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.92
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 18270106) is 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)o2)cc1.

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

The InChIKey is DTWDRPZWGINYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S/c1-14(27)16-4-6-17(7-5-16)20-10-11-21(29-20)22(28)26-23-25-13-19(30-23)12-15-2-8-18(24)9-3-15/h2-11,13H,12H2,1H3,(H,25,26,28).

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

5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 436.92 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 18270106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).