2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole

C14H19N5OS — CID 163348981

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C14H19N5OS/c1-9-8-15-10(2)13(16-9)20-12-4-6-19(7-5-12)14-18-17-11(3)21-14/h8,12H,4-7H2,1-3H3
InChIKeyHTMMWWOWXWHHQB-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.30
Rot. Bonds3

About 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 163348981) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID163348981
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C14H19N5OS/c1-9-8-15-10(2)13(16-9)20-12-4-6-19(7-5-12)14-18-17-11(3)21-14/h8,12H,4-7H2,1-3H3
InChIKeyHTMMWWOWXWHHQB-UHFFFAOYSA-N
XLogP2.30
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 163348981) is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1cnc(C)c(OC2CCN(c3nnc(C)s3)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is HTMMWWOWXWHHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9-8-15-10(2)13(16-9)20-12-4-6-19(7-5-12)14-18-17-11(3)21-14/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 305.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 163348981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).