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

C8H13N3S — CID 46917216

IUPAC3-(dideuteriomethyl)-5-[(3S)-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-/m0/s1/i1D2
InChIKeyZBFUOSNITDVTQV-HXMMCOBCSA-N
MW185.29 g/mol
LogP1.31
Rot. Bonds2

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

3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole (PubChem CID 46917216) has the molecular formula C8H13N3S and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole
PubChem CID46917216
Molecular FormulaC8H13N3S
Molecular Weight185.29 g/mol
Exact Mass185.10
IUPAC Name3-(dideuteriomethyl)-5-[(3S)-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-/m0/s1/i1D2
InChIKeyZBFUOSNITDVTQV-HXMMCOBCSA-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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Related Compounds

4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 82412367
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 55242521

Frequently Asked Questions

What is the IUPAC name of 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole (CID 46917216) is 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole is [2H]C([2H])c1nsc([C@H]2CCCNC2)n1.
What is the InChIKey of 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole?
The InChIKey is ZBFUOSNITDVTQV-HXMMCOBCSA-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-/m0/s1/i1D2.
What are the key properties of 3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole?
3-(dideuteriomethyl)-5-[(3S)-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-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 46917216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).