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

C25H18F4N2O2S — CID 46065628

IUPAC2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C25H18F4N2O2S/c26-21-7-2-1-5-18(21)14-33-20-10-8-17(9-11-20)24-31-22(15-34-24)23(32)30-13-16-4-3-6-19(12-16)25(27,28)29/h1-12,15H,13-14H2,(H,30,32)
InChIKeyZBVKMXTYRZUPHS-UHFFFAOYSA-N
MW486.49 g/mol
LogP6.48
Rot. Bonds7

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

2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46065628) has the molecular formula C25H18F4N2O2S and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID46065628
Molecular FormulaC25H18F4N2O2S
Molecular Weight486.49 g/mol
Exact Mass486.10
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1
InChIInChI=1S/C25H18F4N2O2S/c26-21-7-2-1-5-18(21)14-33-20-10-8-17(9-11-20)24-31-22(15-34-24)23(32)30-13-16-4-3-6-19(12-16)25(27,28)29/h1-12,15H,13-14H2,(H,30,32)
InChIKeyZBVKMXTYRZUPHS-UHFFFAOYSA-N
XLogP6.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065939
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065796
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 46065628) is 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2ccc(OCc3ccccc3F)cc2)n1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZBVKMXTYRZUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O2S/c26-21-7-2-1-5-18(21)14-33-20-10-8-17(9-11-20)24-31-22(15-34-24)23(32)30-13-16-4-3-6-19(12-16)25(27,28)29/h1-12,15H,13-14H2,(H,30,32).
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).