N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide

C24H23F3N6O2S — CID 144617604

About N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide

N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide (PubChem CID 144617604) has the molecular formula C24H23F3N6O2S and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 144617604
• Molecular Formula: C24H23F3N6O2S
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.16
• IUPAC Name: N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
• SMILES: NC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3nc(C(F)(F)F)ccc3c2)[nH]1
• InChI: InChI=1S/C24H23F3N6O2S/c25-24(26,27)20-9-7-14-10-15(6-8-16(14)31-20)18-11-30-22(32-18)17(4-2-1-3-5-21(28)34)33-23(35)19-12-29-13-36-19/h6-13,17H,1-5H2,(H2,28,34)(H,30,32)(H,33,35)
• InChIKey: VLXMBOQBNVCBLV-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 126.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide (CID 144617604) is N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide is NC(=O)CCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3nc(C(F)(F)F)ccc3c2)[nH]1.

What is the InChIKey of N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?

The InChIKey is VLXMBOQBNVCBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2S/c25-24(26,27)20-9-7-14-10-15(6-8-16(14)31-20)18-11-30-22(32-18)17(4-2-1-3-5-21(28)34)33-23(35)19-12-29-13-36-19/h6-13,17H,1-5H2,(H2,28,34)(H,30,32)(H,33,35).

What are the key properties of N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide?

N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-amino-7-oxo-1-[5-[2-(trifluoromethyl)quinolin-6-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 144617604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).