1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

C4H4F3N3O2S2 — CID 59998591

IUPAC1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCc1nnc(NS(=O)(=O)C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3O2S2/c1-2-8-9-3(13-2)10-14(11,12)4(5,6)7/h1H3,(H,9,10)
InChIKeySBLIWPISRFZXRD-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.11
Rot. Bonds2

About 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 59998591) has the molecular formula C4H4F3N3O2S2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID59998591
Molecular FormulaC4H4F3N3O2S2
Molecular Weight247.22 g/mol
Exact Mass246.97
IUPAC Name1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCc1nnc(NS(=O)(=O)C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3O2S2/c1-2-8-9-3(13-2)10-14(11,12)4(5,6)7/h1H3,(H,9,10)
InChIKeySBLIWPISRFZXRD-UHFFFAOYSA-N
XLogP1.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide 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 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 59998591) is 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is Cc1nnc(NS(=O)(=O)C(F)(F)F)s1.
What is the InChIKey of 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is SBLIWPISRFZXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S2/c1-2-8-9-3(13-2)10-14(11,12)4(5,6)7/h1H3,(H,9,10).
What are the key properties of 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 247.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 59998591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).