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

C8H9F3N2O2S — CID 79257830

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2S/c1-5-3-16-7(12-5)13(2-6(14)15)4-8(9,10)11/h3H,2,4H2,1H3,(H,14,15)
InChIKeyCTNYZHUBLFVGRR-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.90
Rot. Bonds4

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

2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257830) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257830
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1csc(N(CC(=O)O)CC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2S/c1-5-3-16-7(12-5)13(2-6(14)15)4-8(9,10)11/h3H,2,4H2,1H3,(H,14,15)
InChIKeyCTNYZHUBLFVGRR-UHFFFAOYSA-N
XLogP1.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257830) is 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1csc(N(CC(=O)O)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CTNYZHUBLFVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5-3-16-7(12-5)13(2-6(14)15)4-8(9,10)11/h3H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 254.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).