2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C19H15F3N2O2S — CID 117088739

IUPAC2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C19H15F3N2O2S/c1-26-15-7-5-13(6-8-15)18-24-11-16(27-18)17(25)23-10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)
InChIKeyYIJVHIVPLVCMDF-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.77
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 117088739) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID117088739
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C19H15F3N2O2S/c1-26-15-7-5-13(6-8-15)18-24-11-16(27-18)17(25)23-10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)
InChIKeyYIJVHIVPLVCMDF-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 60196908
2-Methyl-2-[4-[[(2-phenyl-1,3-thiazole-5-carbonyl)amino]methyl]phenoxy]propanoic acid
CID 44419009
(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626112
(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166627826
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166629132
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166629491
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166630419
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166633824
N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 166636297
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-1,3-thiazole-5-carboxamide
CID 66635119
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 66635506
US10335401, No. I-68
CID 139313850

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 117088739) is 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YIJVHIVPLVCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-26-15-7-5-13(6-8-15)18-24-11-16(27-18)17(25)23-10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).