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

C23H19ClN2O2S — CID 16650782

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

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide (PubChem CID 16650782) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
• PubChem CID: 16650782
• Molecular Formula: C23H19ClN2O2S
• Molecular Weight: 422.94 g/mol
• Exact Mass: 422.09
• IUPAC Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c(C)o2)cc1
• InChI: InChI=1S/C23H19ClN2O2S/c1-14-6-8-17(9-7-14)21-12-20(15(2)28-21)22(27)26-23-25-13-19(29-23)11-16-4-3-5-18(24)10-16/h3-10,12-13H,11H2,1-2H3,(H,25,26,27)
• InChIKey: FZZFWPBGKRBHOX-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.94
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide (CID 16650782) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide.

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

The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c(C)o2)cc1.

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

The InChIKey is FZZFWPBGKRBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-14-6-8-17(9-7-14)21-12-20(15(2)28-21)22(27)26-23-25-13-19(29-23)11-16-4-3-5-18(24)10-16/h3-10,12-13H,11H2,1-2H3,(H,25,26,27).

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

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 16650782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).