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

C25H21FN2O2S — CID 42865798

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

N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 42865798) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42865798
• Molecular Formula: C25H21FN2O2S
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.13
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccc(F)cc4)cs3)cc2)c1
• InChI: InChI=1S/C25H21FN2O2S/c1-17-3-2-4-19(13-17)15-30-22-11-7-20(8-12-22)25-28-23(16-31-25)24(29)27-14-18-5-9-21(26)10-6-18/h2-13,16H,14-15H2,1H3,(H,27,29)
• InChIKey: QSJRATBGVJZTOF-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 42865798) is N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is Cc1cccc(COc2ccc(-c3nc(C(=O)NCc4ccc(F)cc4)cs3)cc2)c1.

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

The InChIKey is QSJRATBGVJZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-17-3-2-4-19(13-17)15-30-22-11-7-20(8-12-22)25-28-23(16-31-25)24(29)27-14-18-5-9-21(26)10-6-18/h2-13,16H,14-15H2,1H3,(H,27,29).

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

N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).