5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine

C5H8FN3O2S2 — CID 127002287

IUPAC5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(S(=O)(=O)CCF)s1
InChIInChI=1S/C5H8FN3O2S2/c1-7-4-8-9-5(12-4)13(10,11)3-2-6/h2-3H2,1H3,(H,7,8)
InChIKeyMCFKTPWIRABGDB-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.32
Rot. Bonds4

About 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 127002287) has the molecular formula C5H8FN3O2S2 and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID127002287
Molecular FormulaC5H8FN3O2S2
Molecular Weight225.27 g/mol
Exact Mass225.00
IUPAC Name5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(S(=O)(=O)CCF)s1
InChIInChI=1S/C5H8FN3O2S2/c1-7-4-8-9-5(12-4)13(10,11)3-2-6/h2-3H2,1H3,(H,7,8)
InChIKeyMCFKTPWIRABGDB-UHFFFAOYSA-N
XLogP0.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine 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 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 127002287) is 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(S(=O)(=O)CCF)s1.
What is the InChIKey of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MCFKTPWIRABGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S2/c1-7-4-8-9-5(12-4)13(10,11)3-2-6/h2-3H2,1H3,(H,7,8).
What are the key properties of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 225.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).