4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

C6H9F3N4S — CID 62182960

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)CC(F)(F)F
InChIInChI=1S/C6H9F3N4S/c1-13(3-6(7,8)9)2-4-5(10)14-12-11-4/h2-3,10H2,1H3
InChIKeyMMWGQSMUIKWQGN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.11
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62182960) has the molecular formula C6H9F3N4S and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID62182960
Molecular FormulaC6H9F3N4S
Molecular Weight226.23 g/mol
Exact Mass226.05
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)CC(F)(F)F
InChIInChI=1S/C6H9F3N4S/c1-13(3-6(7,8)9)2-4-5(10)14-12-11-4/h2-3,10H2,1H3
InChIKeyMMWGQSMUIKWQGN-UHFFFAOYSA-N
XLogP1.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-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 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 62182960) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is CN(Cc1nnsc1N)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is MMWGQSMUIKWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4S/c1-13(3-6(7,8)9)2-4-5(10)14-12-11-4/h2-3,10H2,1H3.
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 226.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).