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

C24H17F3N2O2S — CID 46065856

IUPAC2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1
InChIInChI=1S/C24H17F3N2O2S/c25-18-6-1-15(2-7-18)12-28-23(30)22-14-32-24(29-22)17-4-8-19(9-5-17)31-13-16-3-10-20(26)21(27)11-16/h1-11,14H,12-13H2,(H,28,30)
InChIKeyCJKRHKAJLAAVAJ-UHFFFAOYSA-N
MW454.47 g/mol
LogP5.74
Rot. Bonds7

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

2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46065856) has the molecular formula C24H17F3N2O2S and a molecular weight of 454.47 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46065856
Molecular FormulaC24H17F3N2O2S
Molecular Weight454.47 g/mol
Exact Mass454.10
IUPAC Name2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1
InChIInChI=1S/C24H17F3N2O2S/c25-18-6-1-15(2-7-18)12-28-23(30)22-14-32-24(29-22)17-4-8-19(9-5-17)31-13-16-3-10-20(26)21(27)11-16/h1-11,14H,12-13H2,(H,28,30)
InChIKeyCJKRHKAJLAAVAJ-UHFFFAOYSA-N
XLogP5.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46065850
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065796
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46067111
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
2-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066607
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42865871
2-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 46067033
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 46065856) is 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1.
What is the InChIKey of 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CJKRHKAJLAAVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2S/c25-18-6-1-15(2-7-18)12-28-23(30)22-14-32-24(29-22)17-4-8-19(9-5-17)31-13-16-3-10-20(26)21(27)11-16/h1-11,14H,12-13H2,(H,28,30).
What are the key properties of 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).