2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide

C17H11F3N2O2S — CID 71885396

IUPAC2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-3-1-2-10(6-11)16-22-13(8-25-16)9-4-5-14(23)12(7-9)15(21)24/h1-8,23H,(H2,21,24)
InChIKeyMXKNTZQHAGZTLV-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.30
Rot. Bonds3

About 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide

2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 71885396) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide
PubChem CID71885396
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-3-1-2-10(6-11)16-22-13(8-25-16)9-4-5-14(23)12(7-9)15(21)24/h1-8,23H,(H2,21,24)
InChIKeyMXKNTZQHAGZTLV-UHFFFAOYSA-N
XLogP4.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide (CID 71885396) is 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide is NC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is MXKNTZQHAGZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)11-3-1-2-10(6-11)16-22-13(8-25-16)9-4-5-14(23)12(7-9)15(21)24/h1-8,23H,(H2,21,24).
What are the key properties of 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide?
2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 364.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 71885396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).