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

C19H15BrN4O2S — CID 39859829

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

5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide (PubChem CID 39859829) has the molecular formula C19H15BrN4O2S and a molecular weight of 443.33 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide
• PubChem CID: 39859829
• Molecular Formula: C19H15BrN4O2S
• Molecular Weight: 443.33 g/mol
• Exact Mass: 442.01
• IUPAC Name: 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide
• SMILES: Cc1ccc(-c2csc(-n3c(NC(=O)c4ccc(Br)o4)cnc3C)n2)cc1
• InChI: InChI=1S/C19H15BrN4O2S/c1-11-3-5-13(6-4-11)14-10-27-19(22-14)24-12(2)21-9-17(24)23-18(25)15-7-8-16(20)26-15/h3-10H,1-2H3,(H,23,25)
• InChIKey: GRSHIIPSRNTKEF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.33
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide (CID 39859829) is 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide is Cc1ccc(-c2csc(-n3c(NC(=O)c4ccc(Br)o4)cnc3C)n2)cc1.

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

The InChIKey is GRSHIIPSRNTKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2S/c1-11-3-5-13(6-4-11)14-10-27-19(22-14)24-12(2)21-9-17(24)23-18(25)15-7-8-16(20)26-15/h3-10H,1-2H3,(H,23,25).

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

5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 39859829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).