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

C10H11F3N2O4S — CID 79260853

IUPAC2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c1-6-4-20-9(19)15(6)2-7(16)14(3-8(17)18)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,17,18)
InChIKeyYZPJEHDVFWEZNJ-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.69
Rot. Bonds5

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

2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79260853) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79260853
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c1-6-4-20-9(19)15(6)2-7(16)14(3-8(17)18)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,17,18)
InChIKeyYZPJEHDVFWEZNJ-UHFFFAOYSA-N
XLogP0.69
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79260853) is 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1csc(=O)n1CC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YZPJEHDVFWEZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-6-4-20-9(19)15(6)2-7(16)14(3-8(17)18)5-10(11,12)13/h4H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 312.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79260853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).