2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole

C13H16N4OS — CID 171701828

IUPAC2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole
SMILESCc1cncc(OC2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H16N4OS/c1-10-8-14-9-12(16-10)18-11-2-5-17(6-3-11)13-15-4-7-19-13/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyRATCXIVMOJNRFJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole

2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole (PubChem CID 171701828) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole
PubChem CID171701828
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole
SMILESCc1cncc(OC2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H16N4OS/c1-10-8-14-9-12(16-10)18-11-2-5-17(6-3-11)13-15-4-7-19-13/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyRATCXIVMOJNRFJ-UHFFFAOYSA-N
XLogP2.29
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole (CID 171701828) is 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole is Cc1cncc(OC2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole?
The InChIKey is RATCXIVMOJNRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-8-14-9-12(16-10)18-11-2-5-17(6-3-11)13-15-4-7-19-13/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole?
2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole has a molecular weight of 276.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 171701828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).