2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

C6H5F4N3OS — CID 103734054

IUPAC2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)C(F)(F)C(F)F)n1
InChIInChI=1S/C6H5F4N3OS/c1-2-11-5(15-13-2)12-4(14)6(9,10)3(7)8/h3H,1H3,(H,11,12,13,14)
InChIKeyXQUCLXNGYJCXIQ-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.69
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 103734054) has the molecular formula C6H5F4N3OS and a molecular weight of 243.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID103734054
Molecular FormulaC6H5F4N3OS
Molecular Weight243.19 g/mol
Exact Mass243.01
IUPAC Name2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)C(F)(F)C(F)F)n1
InChIInChI=1S/C6H5F4N3OS/c1-2-11-5(15-13-2)12-4(14)6(9,10)3(7)8/h3H,1H3,(H,11,12,13,14)
InChIKeyXQUCLXNGYJCXIQ-UHFFFAOYSA-N
XLogP1.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide 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 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 103734054) is 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is Cc1nsc(NC(=O)C(F)(F)C(F)F)n1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is XQUCLXNGYJCXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3OS/c1-2-11-5(15-13-2)12-4(14)6(9,10)3(7)8/h3H,1H3,(H,11,12,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 243.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 103734054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).