2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

C7H7F3N2O2S — CID 79258827

IUPAC2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1nccs1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)4-12(3-5(13)14)6-11-1-2-15-6/h1-2H,3-4H2,(H,13,14)
InChIKeyMAKOWGOQBBXLIJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.60
Rot. Bonds4

About 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258827) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258827
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)c1nccs1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)4-12(3-5(13)14)6-11-1-2-15-6/h1-2H,3-4H2,(H,13,14)
InChIKeyMAKOWGOQBBXLIJ-UHFFFAOYSA-N
XLogP1.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258827) is 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)c1nccs1.
What is the InChIKey of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MAKOWGOQBBXLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)4-12(3-5(13)14)6-11-1-2-15-6/h1-2H,3-4H2,(H,13,14).
What are the key properties of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 240.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).