2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

C11H5ClF3NO2S — CID 69292446

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(C(F)(F)F)ccc2Cl)s1
InChIInChI=1S/C11H5ClF3NO2S/c12-7-2-1-5(11(13,14)15)3-6(7)9-16-4-8(19-9)10(17)18/h1-4H,(H,17,18)
InChIKeySOIDSMVPSRUKFE-UHFFFAOYSA-N
MW307.68 g/mol
LogP4.18
Rot. Bonds2

About 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 69292446) has the molecular formula C11H5ClF3NO2S and a molecular weight of 307.68 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID69292446
Molecular FormulaC11H5ClF3NO2S
Molecular Weight307.68 g/mol
Exact Mass306.97
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(C(F)(F)F)ccc2Cl)s1
InChIInChI=1S/C11H5ClF3NO2S/c12-7-2-1-5(11(13,14)15)3-6(7)9-16-4-8(19-9)10(17)18/h1-4H,(H,17,18)
InChIKeySOIDSMVPSRUKFE-UHFFFAOYSA-N
XLogP4.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid (CID 69292446) is 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2cc(C(F)(F)F)ccc2Cl)s1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is SOIDSMVPSRUKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2S/c12-7-2-1-5(11(13,14)15)3-6(7)9-16-4-8(19-9)10(17)18/h1-4H,(H,17,18).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid?
2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 307.68 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69292446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).