2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide

C7H8F3N3OS2 — CID 78766483

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1nncs1)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3OS2/c1-4(16-6-13-12-3-15-6)5(14)11-2-7(8,9)10/h3-4H,2H2,1H3,(H,11,14)
InChIKeyAJFLQKFWBPQZFI-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.70
Rot. Bonds4

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78766483) has the molecular formula C7H8F3N3OS2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78766483
Molecular FormulaC7H8F3N3OS2
Molecular Weight271.29 g/mol
Exact Mass271.01
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1nncs1)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3OS2/c1-4(16-6-13-12-3-15-6)5(14)11-2-7(8,9)10/h3-4H,2H2,1H3,(H,11,14)
InChIKeyAJFLQKFWBPQZFI-UHFFFAOYSA-N
XLogP1.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)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-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 78766483) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(Sc1nncs1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is AJFLQKFWBPQZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS2/c1-4(16-6-13-12-3-15-6)5(14)11-2-7(8,9)10/h3-4H,2H2,1H3,(H,11,14).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 271.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78766483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).