5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid

C9H4F3NO3S — CID 106783834

IUPAC5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C9H4F3NO3S/c10-9(11,12)8-13-3-6(17-8)4-1-2-5(16-4)7(14)15/h1-3H,(H,14,15)
InChIKeyKJWLGNNYEPTEGC-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.12
Rot. Bonds2

About 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid

5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid (PubChem CID 106783834) has the molecular formula C9H4F3NO3S and a molecular weight of 263.20 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid
PubChem CID106783834
Molecular FormulaC9H4F3NO3S
Molecular Weight263.20 g/mol
Exact Mass262.99
IUPAC Name5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(C(F)(F)F)s2)o1
InChIInChI=1S/C9H4F3NO3S/c10-9(11,12)8-13-3-6(17-8)4-1-2-5(16-4)7(14)15/h1-3H,(H,14,15)
InChIKeyKJWLGNNYEPTEGC-UHFFFAOYSA-N
XLogP3.12
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid (CID 106783834) is 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2cnc(C(F)(F)F)s2)o1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid?
The InChIKey is KJWLGNNYEPTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3S/c10-9(11,12)8-13-3-6(17-8)4-1-2-5(16-4)7(14)15/h1-3H,(H,14,15).
What are the key properties of 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid?
5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid has a molecular weight of 263.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-carboxylic acid is sourced from PubChem (CID 106783834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).