2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H6F3N3O3S — CID 78990401

IUPAC2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1cnns1
InChIInChI=1S/C7H6F3N3O3S/c8-7(9,10)3-13(2-5(14)15)6(16)4-1-11-12-17-4/h1H,2-3H2,(H,14,15)
InChIKeyGRUYYMARXLLDQY-UHFFFAOYSA-N
MW269.20 g/mol
LogP0.63
Rot. Bonds4

About 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990401) has the molecular formula C7H6F3N3O3S and a molecular weight of 269.20 g/mol. Its IUPAC name is 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990401
Molecular FormulaC7H6F3N3O3S
Molecular Weight269.20 g/mol
Exact Mass269.01
IUPAC Name2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1cnns1
InChIInChI=1S/C7H6F3N3O3S/c8-7(9,10)3-13(2-5(14)15)6(16)4-1-11-12-17-4/h1H,2-3H2,(H,14,15)
InChIKeyGRUYYMARXLLDQY-UHFFFAOYSA-N
XLogP0.63
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990401) is 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1cnns1.
What is the InChIKey of 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GRUYYMARXLLDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3S/c8-7(9,10)3-13(2-5(14)15)6(16)4-1-11-12-17-4/h1H,2-3H2,(H,14,15).
What are the key properties of 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[thiadiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).