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

C8H8F3N3O3S — CID 79261804

IUPAC2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H8F3N3O3S/c1-4-6(18-13-12-4)7(17)14(2-5(15)16)3-8(9,10)11/h2-3H2,1H3,(H,15,16)
InChIKeyWMJNBZSVVXQLCM-UHFFFAOYSA-N
MW283.23 g/mol
LogP0.94
Rot. Bonds4

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

2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79261804) has the molecular formula C8H8F3N3O3S and a molecular weight of 283.23 g/mol. Its IUPAC name is 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79261804
Molecular FormulaC8H8F3N3O3S
Molecular Weight283.23 g/mol
Exact Mass283.02
IUPAC Name2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H8F3N3O3S/c1-4-6(18-13-12-4)7(17)14(2-5(15)16)3-8(9,10)11/h2-3H2,1H3,(H,15,16)
InChIKeyWMJNBZSVVXQLCM-UHFFFAOYSA-N
XLogP0.94
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylthiadiazole-5-carbonyl)-(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-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79261804) is 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1nnsc1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WMJNBZSVVXQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3S/c1-4-6(18-13-12-4)7(17)14(2-5(15)16)3-8(9,10)11/h2-3H2,1H3,(H,15,16).
What are the key properties of 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79261804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).