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

C25H18F4N2O2S — CID 42866302

IUPAC2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2OCc2ccccc2F)n1
InChIInChI=1S/C25H18F4N2O2S/c26-20-10-3-1-7-17(20)14-33-22-11-4-2-9-19(22)24-31-21(15-34-24)23(32)30-13-16-6-5-8-18(12-16)25(27,28)29/h1-12,15H,13-14H2,(H,30,32)
InChIKeyLSDHMJJKAUBOJJ-UHFFFAOYSA-N
MW486.49 g/mol
LogP6.48
Rot. Bonds7

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

2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42866302) has the molecular formula C25H18F4N2O2S and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID42866302
Molecular FormulaC25H18F4N2O2S
Molecular Weight486.49 g/mol
Exact Mass486.10
IUPAC Name2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2OCc2ccccc2F)n1
InChIInChI=1S/C25H18F4N2O2S/c26-20-10-3-1-7-17(20)14-33-22-11-4-2-9-19(22)24-31-21(15-34-24)23(32)30-13-16-6-5-8-18(12-16)25(27,28)29/h1-12,15H,13-14H2,(H,30,32)
InChIKeyLSDHMJJKAUBOJJ-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-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065628
N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067163
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065939
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46165312
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866415
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 42866302) is 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2OCc2ccccc2F)n1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LSDHMJJKAUBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O2S/c26-20-10-3-1-7-17(20)14-33-22-11-4-2-9-19(22)24-31-21(15-34-24)23(32)30-13-16-6-5-8-18(12-16)25(27,28)29/h1-12,15H,13-14H2,(H,30,32).
What are the key properties of 2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-[2-[(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-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42866302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).