2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid

C11H5BrF3NO3S — CID 106510256

IUPAC2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H5BrF3NO3S/c12-10-16-7(9(17)18)8(20-10)5-3-1-2-4-6(5)19-11(13,14)15/h1-4H,(H,17,18)
InChIKeyDJLIUNTUROQZAR-UHFFFAOYSA-N
MW368.13 g/mol
LogP4.17
Rot. Bonds3

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

2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106510256) has the molecular formula C11H5BrF3NO3S and a molecular weight of 368.13 g/mol. Its IUPAC name is 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106510256
Molecular FormulaC11H5BrF3NO3S
Molecular Weight368.13 g/mol
Exact Mass366.91
IUPAC Name2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H5BrF3NO3S/c12-10-16-7(9(17)18)8(20-10)5-3-1-2-4-6(5)19-11(13,14)15/h1-4H,(H,17,18)
InChIKeyDJLIUNTUROQZAR-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid (CID 106510256) is 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(Br)sc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DJLIUNTUROQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF3NO3S/c12-10-16-7(9(17)18)8(20-10)5-3-1-2-4-6(5)19-11(13,14)15/h1-4H,(H,17,18).
What are the key properties of 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid?
2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 368.13 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).