N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

C24H19FN2O2S — CID 42866958

About N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide

N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 42866958) has the molecular formula C24H19FN2O2S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42866958
• Molecular Formula: C24H19FN2O2S
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.12
• IUPAC Name: N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cccc(COc2cccc(-c3nc(C(=O)Nc4ccccc4F)cs3)c2)c1
• InChI: InChI=1S/C24H19FN2O2S/c1-16-6-4-7-17(12-16)14-29-19-9-5-8-18(13-19)24-27-22(15-30-24)23(28)26-21-11-3-2-10-20(21)25/h2-13,15H,14H2,1H3,(H,26,28)
• InChIKey: CJTCFPGZTNYSAW-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 42866958) is N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is Cc1cccc(COc2cccc(-c3nc(C(=O)Nc4ccccc4F)cs3)c2)c1.

What is the InChIKey of N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is CJTCFPGZTNYSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2S/c1-16-6-4-7-17(12-16)14-29-19-9-5-8-18(13-19)24-27-22(15-30-24)23(28)26-21-11-3-2-10-20(21)25/h2-13,15H,14H2,1H3,(H,26,28).

What are the key properties of N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?

N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).