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

C26H21N3O2S — CID 1229890

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

2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 1229890) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
• PubChem CID: 1229890
• Molecular Formula: C26H21N3O2S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.14
• IUPAC Name: 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2nc(NC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)sc2C)cc1
• InChI: InChI=1S/C26H21N3O2S/c1-15-8-11-18(12-9-15)24-17(3)32-26(28-24)29-25(30)20-14-22(23-13-10-16(2)31-23)27-21-7-5-4-6-19(20)21/h4-14H,1-3H3,(H,28,29,30)
• InChIKey: ICCVYVATBRBWOK-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 1229890) is 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

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

The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)sc2C)cc1.

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

The InChIKey is ICCVYVATBRBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-15-8-11-18(12-9-15)24-17(3)32-26(28-24)29-25(30)20-14-22(23-13-10-16(2)31-23)27-21-7-5-4-6-19(20)21/h4-14H,1-3H3,(H,28,29,30).

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

2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylfuran-2-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 1229890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).