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

C6H4F3NO2S — CID 83848827

IUPAC2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)3-2-10-4(13-3)1-5(11)12/h2H,1H2,(H,11,12)
InChIKeyPVROBRQTSNYDJB-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.79
Rot. Bonds2

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

2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 83848827) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID83848827
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)3-2-10-4(13-3)1-5(11)12/h2H,1H2,(H,11,12)
InChIKeyPVROBRQTSNYDJB-UHFFFAOYSA-N
XLogP1.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid (CID 83848827) is 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is PVROBRQTSNYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-6(8,9)3-2-10-4(13-3)1-5(11)12/h2H,1H2,(H,11,12).
What are the key properties of 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid?
2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 211.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 83848827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).