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

C8H13N3S — CID 46917197

IUPAC5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole
SMILES[2H]C([2H])([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/i1D3
InChIKeyZBFUOSNITDVTQV-ISLPBHIQSA-N
MW186.30 g/mol
LogP1.31
Rot. Bonds2

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

5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole (PubChem CID 46917197) has the molecular formula C8H13N3S and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole
PubChem CID46917197
Molecular FormulaC8H13N3S
Molecular Weight186.30 g/mol
Exact Mass186.10
IUPAC Name5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole
SMILES[2H]C([2H])([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/i1D3
InChIKeyZBFUOSNITDVTQV-ISLPBHIQSA-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 ≤ 500186.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
3-Methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
CID 58487588
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597
5-(Piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691755
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107304495
N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304870
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanamine
CID 107305303
N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305549
N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305551
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]ethanamine
CID 107305946

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole (CID 46917197) is 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole is [2H]C([2H])([2H])c1nsc([C@@H]2CCCNC2)n1.
What is the InChIKey of 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole?
The InChIKey is ZBFUOSNITDVTQV-ISLPBHIQSA-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/i1D3.
What are the key properties of 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole?
5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole has a molecular weight of 186.30 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 5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 46917197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).