2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H15F3N2O2S — CID 79266352

IUPAC2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(C(C)N(CC(=O)O)CC(F)(F)F)c(C)s1
InChIInChI=1S/C11H15F3N2O2S/c1-6(10-7(2)19-8(3)15-10)16(4-9(17)18)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyFARYVADTOYVIFU-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266352) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266352
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nc(C(C)N(CC(=O)O)CC(F)(F)F)c(C)s1
InChIInChI=1S/C11H15F3N2O2S/c1-6(10-7(2)19-8(3)15-10)16(4-9(17)18)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyFARYVADTOYVIFU-UHFFFAOYSA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266352) is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nc(C(C)N(CC(=O)O)CC(F)(F)F)c(C)s1.
What is the InChIKey of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FARYVADTOYVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-6(10-7(2)19-8(3)15-10)16(4-9(17)18)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 296.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).