2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H7F3N4O3S — CID 114913199

IUPAC2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1cnns1
InChIInChI=1S/C7H7F3N4O3S/c8-7(9,10)3-14(2-5(15)16)6(17)12-4-1-11-13-18-4/h1H,2-3H2,(H,12,17)(H,15,16)
InChIKeyDXOXZSZMHYULJI-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.02
Rot. Bonds4

About 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114913199) has the molecular formula C7H7F3N4O3S and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114913199
Molecular FormulaC7H7F3N4O3S
Molecular Weight284.22 g/mol
Exact Mass284.02
IUPAC Name2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Nc1cnns1
InChIInChI=1S/C7H7F3N4O3S/c8-7(9,10)3-14(2-5(15)16)6(17)12-4-1-11-13-18-4/h1H,2-3H2,(H,12,17)(H,15,16)
InChIKeyDXOXZSZMHYULJI-UHFFFAOYSA-N
XLogP1.02
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]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-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 114913199) is 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Nc1cnns1.
What is the InChIKey of 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DXOXZSZMHYULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O3S/c8-7(9,10)3-14(2-5(15)16)6(17)12-4-1-11-13-18-4/h1H,2-3H2,(H,12,17)(H,15,16).
What are the key properties of 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114913199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).