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

C17H17FN4OS — CID 171702679

IUPAC6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
SMILESCc1cncc(OC2CCN(c3nc4ccc(F)cc4s3)CC2)n1
InChIInChI=1S/C17H17FN4OS/c1-11-9-19-10-16(20-11)23-13-4-6-22(7-5-13)17-21-14-3-2-12(18)8-15(14)24-17/h2-3,8-10,13H,4-7H2,1H3
InChIKeyAXIKWENQTMXZNR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.58
Rot. Bonds3

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

6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole (PubChem CID 171702679) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
PubChem CID171702679
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
SMILESCc1cncc(OC2CCN(c3nc4ccc(F)cc4s3)CC2)n1
InChIInChI=1S/C17H17FN4OS/c1-11-9-19-10-16(20-11)23-13-4-6-22(7-5-13)17-21-14-3-2-12(18)8-15(14)24-17/h2-3,8-10,13H,4-7H2,1H3
InChIKeyAXIKWENQTMXZNR-UHFFFAOYSA-N
XLogP3.58
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole (CID 171702679) is 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole is Cc1cncc(OC2CCN(c3nc4ccc(F)cc4s3)CC2)n1.
What is the InChIKey of 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
The InChIKey is AXIKWENQTMXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11-9-19-10-16(20-11)23-13-4-6-22(7-5-13)17-21-14-3-2-12(18)8-15(14)24-17/h2-3,8-10,13H,4-7H2,1H3.
What are the key properties of 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole has a molecular weight of 344.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 171702679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).