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

C24H18F2N2O2S — CID 46066422

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

2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46066422) has the molecular formula C24H18F2N2O2S and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 46066422
• Molecular Formula: C24H18F2N2O2S
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.11
• IUPAC Name: 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1cccc(F)c1)c1csc(-c2cccc(OCc3ccccc3F)c2)n1
• InChI: InChI=1S/C24H18F2N2O2S/c25-19-8-3-5-16(11-19)13-27-23(29)22-15-31-24(28-22)17-7-4-9-20(12-17)30-14-18-6-1-2-10-21(18)26/h1-12,15H,13-14H2,(H,27,29)
• InChIKey: HAOGZIPZQGNFHE-UHFFFAOYSA-N
• XLogP: 5.60
• 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	436.48
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46066422) is 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(F)c1)c1csc(-c2cccc(OCc3ccccc3F)c2)n1.

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

The InChIKey is HAOGZIPZQGNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2S/c25-19-8-3-5-16(11-19)13-27-23(29)22-15-31-24(28-22)17-7-4-9-20(12-17)30-14-18-6-1-2-10-21(18)26/h1-12,15H,13-14H2,(H,27,29).

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

2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).