2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid

C11H7F3N2O2S — CID 80576751

IUPAC2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C11H7F3N2O2S/c12-5-1-7(13)10(14)8(2-5)16-11-15-6(4-19-11)3-9(17)18/h1-2,4H,3H2,(H,15,16)(H,17,18)
InChIKeyLEHGBHKMNYBULP-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.93
Rot. Bonds4

About 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576751) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80576751
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cc(F)cc(F)c2F)n1
InChIInChI=1S/C11H7F3N2O2S/c12-5-1-7(13)10(14)8(2-5)16-11-15-6(4-19-11)3-9(17)18/h1-2,4H,3H2,(H,15,16)(H,17,18)
InChIKeyLEHGBHKMNYBULP-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 80575425
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
CID 80574105
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid (CID 80576751) is 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2cc(F)cc(F)c2F)n1.
What is the InChIKey of 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LEHGBHKMNYBULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c12-5-1-7(13)10(14)8(2-5)16-11-15-6(4-19-11)3-9(17)18/h1-2,4H,3H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 288.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5-trifluoroanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).