2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole

C17H18N4OS — CID 154575945

IUPAC2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCC(COc4cnccn4)CC3)nc2c1
InChIInChI=1S/C17H18N4OS/c1-2-4-15-14(3-1)20-17(23-15)21-9-5-13(6-10-21)12-22-16-11-18-7-8-19-16/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyAUEIALFOKAEGMM-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole

2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 154575945) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
PubChem CID154575945
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCC(COc4cnccn4)CC3)nc2c1
InChIInChI=1S/C17H18N4OS/c1-2-4-15-14(3-1)20-17(23-15)21-9-5-13(6-10-21)12-22-16-11-18-7-8-19-16/h1-4,7-8,11,13H,5-6,9-10,12H2
InChIKeyAUEIALFOKAEGMM-UHFFFAOYSA-N
XLogP3.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154581269
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154830114
6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 163354942
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-phenoxyethanamine
CID 19749640
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154575549
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154583110
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole (CID 154575945) is 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole is c1ccc2sc(N3CCC(COc4cnccn4)CC3)nc2c1.
What is the InChIKey of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is AUEIALFOKAEGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-4-15-14(3-1)20-17(23-15)21-9-5-13(6-10-21)12-22-16-11-18-7-8-19-16/h1-4,7-8,11,13H,5-6,9-10,12H2.
What are the key properties of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 326.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 154575945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).