N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

C25H18F2N2O2S — CID 90715840

About N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 90715840) has the molecular formula C25H18F2N2O2S and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
• PubChem CID: 90715840
• Molecular Formula: C25H18F2N2O2S
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.11
• IUPAC Name: N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
• SMILES: C=CC(=O)N(c1ccc(OCc2cccc(F)c2)cc1)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C25H18F2N2O2S/c1-2-24(30)29(25-28-23(16-32-25)18-6-8-19(26)9-7-18)21-10-12-22(13-11-21)31-15-17-4-3-5-20(27)14-17/h2-14,16H,1,15H2
• InChIKey: AAMZPEOWVXZKEX-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 42.43 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?

The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 90715840) is N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide.

What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?

The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is C=CC(=O)N(c1ccc(OCc2cccc(F)c2)cc1)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?

The InChIKey is AAMZPEOWVXZKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O2S/c1-2-24(30)29(25-28-23(16-32-25)18-6-8-19(26)9-7-18)21-10-12-22(13-11-21)31-15-17-4-3-5-20(27)14-17/h2-14,16H,1,15H2.

What are the key properties of N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide?

N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 448.49 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 90715840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).