2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H11F3N2O3S — CID 79257800

IUPAC2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(CC(=O)N(CC(=O)O)CC(F)(F)F)cs1
InChIInChI=1S/C10H11F3N2O3S/c1-6-14-7(4-19-6)2-8(16)15(3-9(17)18)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,17,18)
InChIKeyAXGFCDAADQDJBS-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.47
Rot. Bonds5

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

2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257800) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257800
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(CC(=O)N(CC(=O)O)CC(F)(F)F)cs1
InChIInChI=1S/C10H11F3N2O3S/c1-6-14-7(4-19-6)2-8(16)15(3-9(17)18)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,17,18)
InChIKeyAXGFCDAADQDJBS-UHFFFAOYSA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257800) is 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nc(CC(=O)N(CC(=O)O)CC(F)(F)F)cs1.
What is the InChIKey of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AXGFCDAADQDJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-6-14-7(4-19-6)2-8(16)15(3-9(17)18)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 296.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).