3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole

C8H13N3S — CID 46917217

IUPAC3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole
SMILES[2H]C([2H])c1nsc([C@@H]2CCCNC2)n1
InChIInChI=1S/C8H13N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3/t7-/m1/s1/i1D2
InChIKeyZBFUOSNITDVTQV-MAVYPJCOSA-N
MW185.29 g/mol
LogP1.31
Rot. Bonds2

About 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole

3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole (PubChem CID 46917217) has the molecular formula C8H13N3S and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole
PubChem CID46917217
Molecular FormulaC8H13N3S
Molecular Weight185.29 g/mol
Exact Mass185.10
IUPAC Name3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole
SMILES[2H]C([2H])c1nsc([C@@H]2CCCNC2)n1
InChIInChI=1S/C8H13N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3/t7-/m1/s1/i1D2
InChIKeyZBFUOSNITDVTQV-MAVYPJCOSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole (CID 46917217) is 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole is [2H]C([2H])c1nsc([C@@H]2CCCNC2)n1.
What is the InChIKey of 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole?
The InChIKey is ZBFUOSNITDVTQV-MAVYPJCOSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3/t7-/m1/s1/i1D2.
What are the key properties of 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole?
3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole has a molecular weight of 185.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dideuteriomethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 46917217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).