4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid

C11H5BrF3NO3S — CID 163208045

IUPAC4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Oc2ccc(C(F)(F)F)cc2)nc1Br
InChIInChI=1S/C11H5BrF3NO3S/c12-8-7(9(17)18)20-10(16-8)19-6-3-1-5(2-4-6)11(13,14)15/h1-4H,(H,17,18)
InChIKeyVIOIIGLSGVUMDP-UHFFFAOYSA-N
MW368.13 g/mol
LogP4.41
Rot. Bonds3

About 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid

4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid (PubChem CID 163208045) has the molecular formula C11H5BrF3NO3S and a molecular weight of 368.13 g/mol. Its IUPAC name is 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
PubChem CID163208045
Molecular FormulaC11H5BrF3NO3S
Molecular Weight368.13 g/mol
Exact Mass366.91
IUPAC Name4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Oc2ccc(C(F)(F)F)cc2)nc1Br
InChIInChI=1S/C11H5BrF3NO3S/c12-8-7(9(17)18)20-10(16-8)19-6-3-1-5(2-4-6)11(13,14)15/h1-4H,(H,17,18)
InChIKeyVIOIIGLSGVUMDP-UHFFFAOYSA-N
XLogP4.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid (CID 163208045) is 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Oc2ccc(C(F)(F)F)cc2)nc1Br.
What is the InChIKey of 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VIOIIGLSGVUMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3NO3S/c12-8-7(9(17)18)20-10(16-8)19-6-3-1-5(2-4-6)11(13,14)15/h1-4H,(H,17,18).
What are the key properties of 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid?
4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid has a molecular weight of 368.13 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 163208045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).