2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C28H19N3OS2 — CID 3400866

About 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 3400866) has the molecular formula C28H19N3OS2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
• PubChem CID: 3400866
• Molecular Formula: C28H19N3OS2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.10
• IUPAC Name: 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)c3ccccc3n2)s1
• InChI: InChI=1S/C28H19N3OS2/c1-17-10-13-26(34-17)24-15-22(21-8-4-5-9-23(21)29-24)27(32)31-28-30-25(16-33-28)20-12-11-18-6-2-3-7-19(18)14-20/h2-16H,1H3,(H,30,31,32)
• InChIKey: SQZWIHVFAQPWKV-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

The IUPAC name of 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 3400866) is 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)c3ccccc3n2)s1.

What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

The InChIKey is SQZWIHVFAQPWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3OS2/c1-17-10-13-26(34-17)24-15-22(21-8-4-5-9-23(21)29-24)27(32)31-28-30-25(16-33-28)20-12-11-18-6-2-3-7-19(18)14-20/h2-16H,1H3,(H,30,31,32).

What are the key properties of 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?

2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 7.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3400866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).