2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C27H23N3OS2 — CID 3275160

About 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 3275160) has the molecular formula C27H23N3OS2 and a molecular weight of 469.64 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
• PubChem CID: 3275160
• Molecular Formula: C27H23N3OS2
• Molecular Weight: 469.64 g/mol
• Exact Mass: 469.13
• IUPAC Name: 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(C(C)C)cc4)cs3)c3ccccc3n2)s1
• InChI: InChI=1S/C27H23N3OS2/c1-16(2)18-9-11-19(12-10-18)24-15-32-27(29-24)30-26(31)21-14-23(25-13-8-17(3)33-25)28-22-7-5-4-6-20(21)22/h4-16H,1-3H3,(H,29,30,31)
• InChIKey: GPNLBPPPESQJCB-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.64
LogP ≤ 5	7.77
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-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?

The IUPAC name of 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 3275160) is 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

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

The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(C(C)C)cc4)cs3)c3ccccc3n2)s1.

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

The InChIKey is GPNLBPPPESQJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS2/c1-16(2)18-9-11-19(12-10-18)24-15-32-27(29-24)30-26(31)21-14-23(25-13-8-17(3)33-25)28-22-7-5-4-6-20(21)22/h4-16H,1-3H3,(H,29,30,31).

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

2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 469.64 g/mol, XLogP of 7.77, 5 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-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 3275160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).