2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol

C18H11F6N3OS — CID 162395917

IUPAC2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccccc2C(F)(F)F)sc1/C=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)10-5-1-3-7-12(10)25-9-14-15(28)27-16(29-14)26-13-8-4-2-6-11(13)18(22,23)24/h1-9,28H,(H,26,27)/b25-9+
InChIKeyAYSNFFIFIYUFGJ-YCPBAFNGSA-N
MW431.36 g/mol
LogP6.38
Rot. Bonds4

About 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol

2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol (PubChem CID 162395917) has the molecular formula C18H11F6N3OS and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol
PubChem CID162395917
Molecular FormulaC18H11F6N3OS
Molecular Weight431.36 g/mol
Exact Mass431.05
IUPAC Name2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccccc2C(F)(F)F)sc1/C=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)10-5-1-3-7-12(10)25-9-14-15(28)27-16(29-14)26-13-8-4-2-6-11(13)18(22,23)24/h1-9,28H,(H,26,27)/b25-9+
InChIKeyAYSNFFIFIYUFGJ-YCPBAFNGSA-N
XLogP6.38
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-hydroxy-2-[2-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propanoic acid
CID 91314073
2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80570658
1-phenyl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 15195578
N-[4-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 137249091
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 78908729
bis[2-[2-(2-methylphenyl)-3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanone
CID 161166254
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
CID 19021339
N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline
CID 20749228
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
5-bromo-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66339922
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol (CID 162395917) is 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol is Oc1nc(Nc2ccccc2C(F)(F)F)sc1/C=N/c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol?
The InChIKey is AYSNFFIFIYUFGJ-YCPBAFNGSA-N. The full InChI is InChI=1S/C18H11F6N3OS/c19-17(20,21)10-5-1-3-7-12(10)25-9-14-15(28)27-16(29-14)26-13-8-4-2-6-11(13)18(22,23)24/h1-9,28H,(H,26,27)/b25-9+.
What are the key properties of 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol?
2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol has a molecular weight of 431.36 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)anilino]-5-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 162395917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).