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

C6H5F3N2O2S — CID 122047242

IUPAC2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)3-1-10-5(14-3)11-2-4(12)13/h1H,2H2,(H,10,11)(H,12,13)
InChIKeySCNGYYZJPYIVPO-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.66
Rot. Bonds3

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

2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid (PubChem CID 122047242) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid
PubChem CID122047242
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)3-1-10-5(14-3)11-2-4(12)13/h1H,2H2,(H,10,11)(H,12,13)
InChIKeySCNGYYZJPYIVPO-UHFFFAOYSA-N
XLogP1.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid (CID 122047242) is 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid is O=C(O)CNc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid?
The InChIKey is SCNGYYZJPYIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-6(8,9)3-1-10-5(14-3)11-2-4(12)13/h1H,2H2,(H,10,11)(H,12,13).
What are the key properties of 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid?
2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid has a molecular weight of 226.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetic acid is sourced from PubChem (CID 122047242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).