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

C25H27N5O2S — CID 159001267

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

N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide (PubChem CID 159001267) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 159001267
• Molecular Formula: C25H27N5O2S
• Molecular Weight: 461.59 g/mol
• Exact Mass: 461.19
• IUPAC Name: N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide
• SMILES: CCC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ncccc3c2)[nH]1
• InChI: InChI=1S/C25H27N5O2S/c1-2-19(31)8-4-3-5-9-21(30-25(32)23-15-26-16-33-23)24-28-14-22(29-24)18-10-11-20-17(13-18)7-6-12-27-20/h6-7,10-16,21H,2-5,8-9H2,1H3,(H,28,29)(H,30,32)/t21-/m0/s1
• InChIKey: JRIZFMLHNLXOMK-NRFANRHFSA-N
• XLogP: 5.48
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.59
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
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-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide (CID 159001267) is N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ncccc3c2)[nH]1.

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

The InChIKey is JRIZFMLHNLXOMK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-2-19(31)8-4-3-5-9-21(30-25(32)23-15-26-16-33-23)24-28-14-22(29-24)18-10-11-20-17(13-18)7-6-12-27-20/h6-7,10-16,21H,2-5,8-9H2,1H3,(H,28,29)(H,30,32)/t21-/m0/s1.

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

N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 5.48, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-7-oxo-1-(5-quinolin-6-yl-1H-imidazol-2-yl)nonyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159001267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).