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

C24H17ClF2N2O2S — CID 46066945

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

2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46066945) has the molecular formula C24H17ClF2N2O2S and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 46066945
• Molecular Formula: C24H17ClF2N2O2S
• Molecular Weight: 470.93 g/mol
• Exact Mass: 470.07
• IUPAC Name: 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1cccc(F)c1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1
• InChI: InChI=1S/C24H17ClF2N2O2S/c25-17-5-1-4-16(9-17)13-31-19-7-8-20(21(27)11-19)24-29-22(14-32-24)23(30)28-12-15-3-2-6-18(26)10-15/h1-11,14H,12-13H2,(H,28,30)
• InChIKey: GLPYDTOMABJVSJ-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.93
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46066945) is 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(F)c1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1.

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

The InChIKey is GLPYDTOMABJVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N2O2S/c25-17-5-1-4-16(9-17)13-31-19-7-8-20(21(27)11-19)24-29-22(14-32-24)23(30)28-12-15-3-2-6-18(26)10-15/h1-11,14H,12-13H2,(H,28,30).

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

2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 470.93 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).