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

C9H11F3N2O2S — CID 79265741

IUPAC2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(c1nccs1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-6(8-13-2-3-17-8)14(4-7(15)16)5-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyHHVVMIHNZQSQGV-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.15
Rot. Bonds5

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

2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265741) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265741
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(c1nccs1)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-6(8-13-2-3-17-8)14(4-7(15)16)5-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyHHVVMIHNZQSQGV-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid
CID 177744038
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 64990462
2-[1-(1,3-Thiazol-2-yl)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264659
2-[1-(1,3-Thiazol-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265754
3,3,3-Trifluoro-2-methyl-2-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 79801304
3,3,3-Trifluoro-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 80314935
2-[1,3-Thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 80315828
3,3,3-Trifluoro-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]propanoic acid
CID 103253584
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 104077423
Methyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104077425
Ethyl 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104077427
2-[2-(1,3-Thiazol-2-yl)propan-2-ylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 105945371

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265741) is 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC(c1nccs1)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HHVVMIHNZQSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6(8-13-2-3-17-8)14(4-7(15)16)5-9(10,11)12/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 268.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).