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

C15H20N4OS — CID 163351022

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(C)c(OC2CCN(c3ncc(C)s3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-10-8-16-12(3)14(18-10)20-13-4-6-19(7-5-13)15-17-9-11(2)21-15/h8-9,13H,4-7H2,1-3H3
InChIKeyXASNAXLXNGNURH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds3

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

2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole (PubChem CID 163351022) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole
PubChem CID163351022
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(C)c(OC2CCN(c3ncc(C)s3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-10-8-16-12(3)14(18-10)20-13-4-6-19(7-5-13)15-17-9-11(2)21-15/h8-9,13H,4-7H2,1-3H3
InChIKeyXASNAXLXNGNURH-UHFFFAOYSA-N
XLogP2.91
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-thiazole?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole (CID 163351022) is 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole is Cc1cnc(C)c(OC2CCN(c3ncc(C)s3)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole?
The InChIKey is XASNAXLXNGNURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-8-16-12(3)14(18-10)20-13-4-6-19(7-5-13)15-17-9-11(2)21-15/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole?
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-thiazole is sourced from PubChem (CID 163351022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).