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

C3H5N3S — CID 172532451

IUPAC5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine
SMILES[2H]C([2H])([2H])c1nnc(N)s1
InChIInChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)/i1D3
InChIKeyHMPUHXCGUHDVBI-FIBGUPNXSA-N
MW118.18 g/mol
LogP0.43
Rot. Bonds1

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

5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 172532451) has the molecular formula C3H5N3S and a molecular weight of 118.18 g/mol. Its IUPAC name is 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine
PubChem CID172532451
Molecular FormulaC3H5N3S
Molecular Weight118.18 g/mol
Exact Mass118.04
IUPAC Name5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine
SMILES[2H]C([2H])([2H])c1nnc(N)s1
InChIInChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)/i1D3
InChIKeyHMPUHXCGUHDVBI-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

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Frequently Asked Questions

What is the IUPAC name of 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine (CID 172532451) is 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine is [2H]C([2H])([2H])c1nnc(N)s1.
What is the InChIKey of 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HMPUHXCGUHDVBI-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)/i1D3.
What are the key properties of 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine?
5-(trideuteriomethyl)-1,3,4-thiadiazol-2-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 5-(trideuteriomethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 172532451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).