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

C17H16F2N4OS — CID 171702707

IUPAC4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
SMILESCc1cncc(OC2CCN(c3nc4c(F)cc(F)cc4s3)CC2)n1
InChIInChI=1S/C17H16F2N4OS/c1-10-8-20-9-15(21-10)24-12-2-4-23(5-3-12)17-22-16-13(19)6-11(18)7-14(16)25-17/h6-9,12H,2-5H2,1H3
InChIKeyZSRCAXWOOBFNER-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.72
Rot. Bonds3

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

4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole (PubChem CID 171702707) has the molecular formula C17H16F2N4OS and a molecular weight of 362.41 g/mol. Its IUPAC name is 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
PubChem CID171702707
Molecular FormulaC17H16F2N4OS
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
SMILESCc1cncc(OC2CCN(c3nc4c(F)cc(F)cc4s3)CC2)n1
InChIInChI=1S/C17H16F2N4OS/c1-10-8-20-9-15(21-10)24-12-2-4-23(5-3-12)17-22-16-13(19)6-11(18)7-14(16)25-17/h6-9,12H,2-5H2,1H3
InChIKeyZSRCAXWOOBFNER-UHFFFAOYSA-N
XLogP3.72
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole (CID 171702707) is 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole is Cc1cncc(OC2CCN(c3nc4c(F)cc(F)cc4s3)CC2)n1.
What is the InChIKey of 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
The InChIKey is ZSRCAXWOOBFNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4OS/c1-10-8-20-9-15(21-10)24-12-2-4-23(5-3-12)17-22-16-13(19)6-11(18)7-14(16)25-17/h6-9,12H,2-5H2,1H3.
What are the key properties of 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole?
4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole has a molecular weight of 362.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 171702707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).