3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole

C13H17N5OS — CID 154575527

IUPAC3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C13H17N5OS/c1-10-16-13(20-17-10)18-6-2-11(3-7-18)9-19-12-8-14-4-5-15-12/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyKASGOFUCPFASFR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.93
Rot. Bonds4

About 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole

3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 154575527) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID154575527
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C13H17N5OS/c1-10-16-13(20-17-10)18-6-2-11(3-7-18)9-19-12-8-14-4-5-15-12/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyKASGOFUCPFASFR-UHFFFAOYSA-N
XLogP1.93
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 154575527) is 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCC(COc3cnccn3)CC2)n1.
What is the InChIKey of 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is KASGOFUCPFASFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-10-16-13(20-17-10)18-6-2-11(3-7-18)9-19-12-8-14-4-5-15-12/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 291.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 154575527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).