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

C3H4N2S — CID 175691094

IUPAC3-(trideuteriomethyl)-1,2,4-thiadiazole
SMILES[2H]C([2H])([2H])c1ncsn1
InChIInChI=1S/C3H4N2S/c1-3-4-2-6-5-3/h2H,1H3/i1D3
InChIKeyIBANRDPEOYZVGW-FIBGUPNXSA-N
MW103.16 g/mol
LogP0.85
Rot. Bonds1

About 3-(trideuteriomethyl)-1,2,4-thiadiazole

3-(trideuteriomethyl)-1,2,4-thiadiazole (PubChem CID 175691094) has the molecular formula C3H4N2S and a molecular weight of 103.16 g/mol. Its IUPAC name is 3-(trideuteriomethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(trideuteriomethyl)-1,2,4-thiadiazole
PubChem CID175691094
Molecular FormulaC3H4N2S
Molecular Weight103.16 g/mol
Exact Mass103.03
IUPAC Name3-(trideuteriomethyl)-1,2,4-thiadiazole
SMILES[2H]C([2H])([2H])c1ncsn1
InChIInChI=1S/C3H4N2S/c1-3-4-2-6-5-3/h2H,1H3/i1D3
InChIKeyIBANRDPEOYZVGW-FIBGUPNXSA-N
XLogP0.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(trideuteriomethyl)-1,2,4-thiadiazole (CID 175691094) is 3-(trideuteriomethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(trideuteriomethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(trideuteriomethyl)-1,2,4-thiadiazole is [2H]C([2H])([2H])c1ncsn1.
What is the InChIKey of 3-(trideuteriomethyl)-1,2,4-thiadiazole?
The InChIKey is IBANRDPEOYZVGW-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H4N2S/c1-3-4-2-6-5-3/h2H,1H3/i1D3.
What are the key properties of 3-(trideuteriomethyl)-1,2,4-thiadiazole?
3-(trideuteriomethyl)-1,2,4-thiadiazole has a molecular weight of 103.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 175691094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).