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

C5H6F3N3S — CID 65209492

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-3-10-11-4(12-3)9-2-5(6,7)8/h2H2,1H3,(H,9,11)
InChIKeyYGDXVJYFUZTMDG-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.82
Rot. Bonds2

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

5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 65209492) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
PubChem CID65209492
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c1-3-10-11-4(12-3)9-2-5(6,7)8/h2H2,1H3,(H,9,11)
InChIKeyYGDXVJYFUZTMDG-UHFFFAOYSA-N
XLogP1.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(2,2,2-trifluoroethyl)-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-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine (CID 65209492) is 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YGDXVJYFUZTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-3-10-11-4(12-3)9-2-5(6,7)8/h2H2,1H3,(H,9,11).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 197.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).