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

C17H25N5OS — CID 163350362

IUPAC2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C(C)(C)C)s3)CC2)n1
InChIInChI=1S/C17H25N5OS/c1-11-10-18-12(2)14(19-11)23-13-6-8-22(9-7-13)16-21-20-15(24-16)17(3,4)5/h10,13H,6-9H2,1-5H3
InChIKeyOCDJFRDZRKAAIC-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.29
Rot. Bonds3

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

2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 163350362) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
PubChem CID163350362
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cnc(C)c(OC2CCN(c3nnc(C(C)(C)C)s3)CC2)n1
InChIInChI=1S/C17H25N5OS/c1-11-10-18-12(2)14(19-11)23-13-6-8-22(9-7-13)16-21-20-15(24-16)17(3,4)5/h10,13H,6-9H2,1-5H3
InChIKeyOCDJFRDZRKAAIC-UHFFFAOYSA-N
XLogP3.29
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole (CID 163350362) is 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole is Cc1cnc(C)c(OC2CCN(c3nnc(C(C)(C)C)s3)CC2)n1.
What is the InChIKey of 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is OCDJFRDZRKAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11-10-18-12(2)14(19-11)23-13-6-8-22(9-7-13)16-21-20-15(24-16)17(3,4)5/h10,13H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 347.49 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 163350362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).