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

C9H10F3N3O2S — CID 107304395

IUPAC2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2nc(C(F)(F)F)ns2)CCC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)6-13-7(18-15-6)14-8(2-1-3-8)4-5(16)17/h1-4H2,(H,16,17)(H,13,14,15)
InChIKeyZYQCLEITVPYTRM-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.37
Rot. Bonds4

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

2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid (PubChem CID 107304395) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid
PubChem CID107304395
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC Name2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2nc(C(F)(F)F)ns2)CCC1
InChIInChI=1S/C9H10F3N3O2S/c10-9(11,12)6-13-7(18-15-6)14-8(2-1-3-8)4-5(16)17/h1-4H2,(H,16,17)(H,13,14,15)
InChIKeyZYQCLEITVPYTRM-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic 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-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid (CID 107304395) is 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid is O=C(O)CC1(Nc2nc(C(F)(F)F)ns2)CCC1.
What is the InChIKey of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid?
The InChIKey is ZYQCLEITVPYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c10-9(11,12)6-13-7(18-15-6)14-8(2-1-3-8)4-5(16)17/h1-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid has a molecular weight of 281.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 107304395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).