2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H9F3N2O2S — CID 79257785

IUPAC2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cscn1)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)4-13(2-7(14)15)1-6-3-16-5-12-6/h3,5H,1-2,4H2,(H,14,15)
InChIKeyOGHRJQWAZWLGDK-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.59
Rot. Bonds5

About 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257785) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257785
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cscn1)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)4-13(2-7(14)15)1-6-3-16-5-12-6/h3,5H,1-2,4H2,(H,14,15)
InChIKeyOGHRJQWAZWLGDK-UHFFFAOYSA-N
XLogP1.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.59
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-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257785) is 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1cscn1)CC(F)(F)F.
What is the InChIKey of 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OGHRJQWAZWLGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)4-13(2-7(14)15)1-6-3-16-5-12-6/h3,5H,1-2,4H2,(H,14,15).
What are the key properties of 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 254.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-thiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).