(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide

C4H3F3N3O2S2- — CID 59998590

IUPAC(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide
SMILESCc1nnc([N-]S(=O)(=O)C(F)(F)F)s1
InChIInChI=1S/C4H3F3N3O2S2/c1-2-8-9-3(13-2)10-14(11,12)4(5,6)7/h1H3/q-1
InChIKeyUHIJBHNGQHBYFT-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.70
Rot. Bonds2

About (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide

(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide (PubChem CID 59998590) has the molecular formula C4H3F3N3O2S2- and a molecular weight of 246.22 g/mol. Its IUPAC name is (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide
PubChem CID59998590
Molecular FormulaC4H3F3N3O2S2-
Molecular Weight246.22 g/mol
Exact Mass245.96
IUPAC Name(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide
SMILESCc1nnc([N-]S(=O)(=O)C(F)(F)F)s1
InChIInChI=1S/C4H3F3N3O2S2/c1-2-8-9-3(13-2)10-14(11,12)4(5,6)7/h1H3/q-1
InChIKeyUHIJBHNGQHBYFT-UHFFFAOYSA-N
XLogP1.70
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide 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-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide?
The IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide (CID 59998590) is (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide is Cc1nnc([N-]S(=O)(=O)C(F)(F)F)s1.
What is the InChIKey of (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide?
The InChIKey is UHIJBHNGQHBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N3O2S2/c1-2-8-9-3(13-2)10-14(11,12)4(5,6)7/h1H3/q-1.
What are the key properties of (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide?
(5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide has a molecular weight of 246.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59998590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).