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

C23H16ClN5OS — CID 55515066

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

2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 55515066) has the molecular formula C23H16ClN5OS and a molecular weight of 445.94 g/mol. Its IUPAC name is 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
• PubChem CID: 55515066
• Molecular Formula: C23H16ClN5OS
• Molecular Weight: 445.94 g/mol
• Exact Mass: 445.08
• IUPAC Name: 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
• SMILES: Cn1ccnc1-c1sc(NC(=O)c2cc(Cl)nc3ccccc23)nc1-c1ccccc1
• InChI: InChI=1S/C23H16ClN5OS/c1-29-12-11-25-21(29)20-19(14-7-3-2-4-8-14)27-23(31-20)28-22(30)16-13-18(24)26-17-10-6-5-9-15(16)17/h2-13H,1H3,(H,27,28,30)
• InChIKey: SYVMYTOEYSCYKM-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.94
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 55515066) is 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide.

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

The canonical SMILES for 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide is Cn1ccnc1-c1sc(NC(=O)c2cc(Cl)nc3ccccc23)nc1-c1ccccc1.

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

The InChIKey is SYVMYTOEYSCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5OS/c1-29-12-11-25-21(29)20-19(14-7-3-2-4-8-14)27-23(31-20)28-22(30)16-13-18(24)26-17-10-6-5-9-15(16)17/h2-13H,1H3,(H,27,28,30).

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

2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 445.94 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 55515066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).