3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine

C3H5N3S — CID 156904174

IUPAC3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine
SMILES[2H]C([2H])([2H])c1nsc(N)n1
InChIInChI=1S/C3H5N3S/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)/i1D3
InChIKeyDJKUIGPCSNRFRK-FIBGUPNXSA-N
MW118.18 g/mol
LogP0.43
Rot. Bonds1

About 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine

3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 156904174) has the molecular formula C3H5N3S and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine
PubChem CID156904174
Molecular FormulaC3H5N3S
Molecular Weight118.18 g/mol
Exact Mass118.04
IUPAC Name3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine
SMILES[2H]C([2H])([2H])c1nsc(N)n1
InChIInChI=1S/C3H5N3S/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)/i1D3
InChIKeyDJKUIGPCSNRFRK-FIBGUPNXSA-N
XLogP0.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(trideuteriomethyl)-1,2,4-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

Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
Dimethyl-1,2,4-thiadiazole
CID 13028086
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Amino-3-methyl-1,2,4-thiadiazole
CID 350639
5-Methyl-1,2,4-thiadiazol-3-amine
CID 12246462
5-Chloro-3-methyl-1,2,4-thiadiazole
CID 12919159
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
3-(Difluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105429510
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
5-Hydrazinyl-3-methyl-1,2,4-thiadiazole
CID 582451
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237

Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine (CID 156904174) is 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine is [2H]C([2H])([2H])c1nsc(N)n1.
What is the InChIKey of 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DJKUIGPCSNRFRK-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H5N3S/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)/i1D3.
What are the key properties of 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine?
3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 118.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 156904174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).