N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

C24H21FN4O4S2 — CID 166748230

About N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 166748230) has the molecular formula C24H21FN4O4S2 and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
• PubChem CID: 166748230
• Molecular Formula: C24H21FN4O4S2
• Molecular Weight: 512.59 g/mol
• Exact Mass: 512.10
• IUPAC Name: N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
• SMILES: COc1ncc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1c(C)cc(F)cc1C
• InChI: InChI=1S/C24H21FN4O4S2/c1-14-9-17(25)10-15(2)21(14)29-35(31,32)20-11-18(12-26-23(20)33-3)27-22(30)19-13-34-24(28-19)16-7-5-4-6-8-16/h4-13,29H,1-3H3,(H,27,30)
• InChIKey: UAFWGONFOPTSNZ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.59
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 166748230) is N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is COc1ncc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1c(C)cc(F)cc1C.

What is the InChIKey of N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

The InChIKey is UAFWGONFOPTSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S2/c1-14-9-17(25)10-15(2)21(14)29-35(31,32)20-11-18(12-26-23(20)33-3)27-22(30)19-13-34-24(28-19)16-7-5-4-6-8-16/h4-13,29H,1-3H3,(H,27,30).

What are the key properties of N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?

N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 512.59 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166748230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).