3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole

C8H13N3S — CID 46917235

IUPAC3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole
SMILES[2H]Cc1nsc(C2CCCNC2)n1
InChIInChI=1S/C8H13N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3/i1D
InChIKeyZBFUOSNITDVTQV-MICDWDOJSA-N
MW184.29 g/mol
LogP1.31
Rot. Bonds2

About 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole

3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole (PubChem CID 46917235) has the molecular formula C8H13N3S and a molecular weight of 184.29 g/mol. Its IUPAC name is 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole
PubChem CID46917235
Molecular FormulaC8H13N3S
Molecular Weight184.29 g/mol
Exact Mass184.09
IUPAC Name3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole
SMILES[2H]Cc1nsc(C2CCCNC2)n1
InChIInChI=1S/C8H13N3S/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3/i1D
InChIKeyZBFUOSNITDVTQV-MICDWDOJSA-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 ≤ 500184.29
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-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole (CID 46917235) is 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole is [2H]Cc1nsc(C2CCCNC2)n1.
What is the InChIKey of 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole?
The InChIKey is ZBFUOSNITDVTQV-MICDWDOJSA-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/i1D.
What are the key properties of 3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole?
3-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole has a molecular weight of 184.29 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-(deuteriomethyl)-5-piperidin-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 46917235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).