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

C16H23N5OS — CID 163351142

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C(C)C)s3)CC2)n1
InChIInChI=1S/C16H23N5OS/c1-10(2)15-19-20-16(23-15)21-7-5-13(6-8-21)22-14-12(4)17-9-11(3)18-14/h9-10,13H,5-8H2,1-4H3
InChIKeyQAADLVQGVMAQOQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.12
Rot. Bonds4

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

2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 163351142) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID163351142
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C(C)C)s3)CC2)n1
InChIInChI=1S/C16H23N5OS/c1-10(2)15-19-20-16(23-15)21-7-5-13(6-8-21)22-14-12(4)17-9-11(3)18-14/h9-10,13H,5-8H2,1-4H3
InChIKeyQAADLVQGVMAQOQ-UHFFFAOYSA-N
XLogP3.12
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.12
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-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 163351142) is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is Cc1cnc(C)c(OC2CCN(c3nnc(C(C)C)s3)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is QAADLVQGVMAQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-10(2)15-19-20-16(23-15)21-7-5-13(6-8-21)22-14-12(4)17-9-11(3)18-14/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 333.46 g/mol, XLogP of 3.12, 4 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-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 163351142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).