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

C10H13F3N2O2S — CID 79257709

IUPAC2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ncsc1CCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-8(18-6-14-7)2-3-15(4-9(16)17)5-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)
InChIKeyBAQATFFMQONRGF-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.94
Rot. Bonds6

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

2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257709) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257709
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ncsc1CCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-8(18-6-14-7)2-3-15(4-9(16)17)5-10(11,12)13/h6H,2-5H2,1H3,(H,16,17)
InChIKeyBAQATFFMQONRGF-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257709) is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1ncsc1CCN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BAQATFFMQONRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7-8(18-6-14-7)2-3-15(4-9(16)17)5-10(11,12)13/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).