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

C28H25N3OS2 — CID 4198104

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

N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 4198104) has the molecular formula C28H25N3OS2 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
• PubChem CID: 4198104
• Molecular Formula: C28H25N3OS2
• Molecular Weight: 483.66 g/mol
• Exact Mass: 483.14
• IUPAC Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(CC(C)C)cc4)cs3)c3ccccc3n2)s1
• InChI: InChI=1S/C28H25N3OS2/c1-17(2)14-19-9-11-20(12-10-19)25-16-33-28(30-25)31-27(32)22-15-24(26-13-8-18(3)34-26)29-23-7-5-4-6-21(22)23/h4-13,15-17H,14H2,1-3H3,(H,30,31,32)
• InChIKey: SMLVSQGRCKVCDN-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.66
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 4198104) is N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

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

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

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

The InChIKey is SMLVSQGRCKVCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3OS2/c1-17(2)14-19-9-11-20(12-10-19)25-16-33-28(30-25)31-27(32)22-15-24(26-13-8-18(3)34-26)29-23-7-5-4-6-21(22)23/h4-13,15-17H,14H2,1-3H3,(H,30,31,32).

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

N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 483.66 g/mol, XLogP of 7.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4198104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).