N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C27H20FN3OS — CID 126189086

About N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 126189086) has the molecular formula C27H20FN3OS and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
• PubChem CID: 126189086
• Molecular Formula: C27H20FN3OS
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.13
• IUPAC Name: N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
• SMILES: Fc1ccccc1COc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C27H20FN3OS/c28-24-13-7-5-11-21(24)17-32-26-15-14-19-8-4-6-12-22(19)23(26)16-29-31-27-30-25(18-33-27)20-9-2-1-3-10-20/h1-16,18H,17H2,(H,30,31)/b29-16-
• InChIKey: OVIBHBIJSMDJFN-MWLSYYOVSA-N
• XLogP: 7.13
• TPSA: 46.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The IUPAC name of N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 126189086) is N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Fc1ccccc1COc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccccc2)cs1.

What is the InChIKey of N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The InChIKey is OVIBHBIJSMDJFN-MWLSYYOVSA-N. The full InChI is InChI=1S/C27H20FN3OS/c28-24-13-7-5-11-21(24)17-32-26-15-14-19-8-4-6-12-22(19)23(26)16-29-31-27-30-25(18-33-27)20-9-2-1-3-10-20/h1-16,18H,17H2,(H,30,31)/b29-16-.

What are the key properties of N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 453.54 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126189086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).