N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H6F6N2O2S — CID 84555350

IUPACN-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1scnc1C(F)(F)F
InChIInChI=1S/C12H6F6N2O2S/c13-11(14,15)9-8(23-5-19-9)10(21)20-6-2-1-3-7(4-6)22-12(16,17)18/h1-5H,(H,20,21)
InChIKeyUBSOFONZZVTQNW-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.31
Rot. Bonds3

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

N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84555350) has the molecular formula C12H6F6N2O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84555350
Molecular FormulaC12H6F6N2O2S
Molecular Weight356.25 g/mol
Exact Mass356.01
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1scnc1C(F)(F)F
InChIInChI=1S/C12H6F6N2O2S/c13-11(14,15)9-8(23-5-19-9)10(21)20-6-2-1-3-7(4-6)22-12(16,17)18/h1-5H,(H,20,21)
InChIKeyUBSOFONZZVTQNW-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555128
propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 84555332
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554602
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
5-(methylamino)-N-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618388

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84555350) is N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1scnc1C(F)(F)F.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UBSOFONZZVTQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2O2S/c13-11(14,15)9-8(23-5-19-9)10(21)20-6-2-1-3-7(4-6)22-12(16,17)18/h1-5H,(H,20,21).
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84555350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).