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

C24H16F4N2O2S — CID 46067879

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

2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46067879) has the molecular formula C24H16F4N2O2S and a molecular weight of 472.46 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 46067879
• Molecular Formula: C24H16F4N2O2S
• Molecular Weight: 472.46 g/mol
• Exact Mass: 472.09
• IUPAC Name: 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1
• InChI: InChI=1S/C24H16F4N2O2S/c25-18-3-1-2-15(12-18)13-32-20-10-4-16(5-11-20)23-30-21(14-33-23)22(31)29-19-8-6-17(7-9-19)24(26,27)28/h1-12,14H,13H2,(H,29,31)
• InChIKey: IPKVHNSLZUKQFG-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.46
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 46067879) is 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1.

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

The InChIKey is IPKVHNSLZUKQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O2S/c25-18-3-1-2-15(12-18)13-32-20-10-4-16(5-11-20)23-30-21(14-33-23)22(31)29-19-8-6-17(7-9-19)24(26,27)28/h1-12,14H,13H2,(H,29,31).

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

2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 472.46 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).