2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O3S — CID 78990498

IUPAC2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c1-2-5-7(19-14-13-5)8(18)15(3-6(16)17)4-9(10,11)12/h2-4H2,1H3,(H,16,17)
InChIKeyZVWYUVFFLBVROV-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.19
Rot. Bonds5

About 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990498) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990498
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3S/c1-2-5-7(19-14-13-5)8(18)15(3-6(16)17)4-9(10,11)12/h2-4H2,1H3,(H,16,17)
InChIKeyZVWYUVFFLBVROV-UHFFFAOYSA-N
XLogP1.19
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990498) is 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZVWYUVFFLBVROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-2-5-7(19-14-13-5)8(18)15(3-6(16)17)4-9(10,11)12/h2-4H2,1H3,(H,16,17).
What are the key properties of 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 297.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).