2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid

C7H8F3N3O3S — CID 106108408

IUPAC2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
SMILESCOC(CNc1nc(C(F)(F)F)ns1)C(=O)O
InChIInChI=1S/C7H8F3N3O3S/c1-16-3(4(14)15)2-11-6-12-5(13-17-6)7(8,9)10/h3H,2H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyUFODGXZIWXDKJK-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.07
Rot. Bonds5

About 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid

2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid (PubChem CID 106108408) has the molecular formula C7H8F3N3O3S and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
PubChem CID106108408
Molecular FormulaC7H8F3N3O3S
Molecular Weight271.22 g/mol
Exact Mass271.02
IUPAC Name2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
SMILESCOC(CNc1nc(C(F)(F)F)ns1)C(=O)O
InChIInChI=1S/C7H8F3N3O3S/c1-16-3(4(14)15)2-11-6-12-5(13-17-6)7(8,9)10/h3H,2H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyUFODGXZIWXDKJK-UHFFFAOYSA-N
XLogP1.07
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid (CID 106108408) is 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid is COC(CNc1nc(C(F)(F)F)ns1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
The InChIKey is UFODGXZIWXDKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O3S/c1-16-3(4(14)15)2-11-6-12-5(13-17-6)7(8,9)10/h3H,2H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid?
2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid has a molecular weight of 271.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid is sourced from PubChem (CID 106108408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).