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

C18H20N4O2S — CID 154581269

IUPAC4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCC(COc4cnccn4)CC3)nc12
InChIInChI=1S/C18H20N4O2S/c1-23-14-3-2-4-15-17(14)21-18(25-15)22-9-5-13(6-10-22)12-24-16-11-19-7-8-20-16/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyHGPVQVPYPCZWBJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.39
Rot. Bonds5

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

4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 154581269) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
PubChem CID154581269
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
SMILESCOc1cccc2sc(N3CCC(COc4cnccn4)CC3)nc12
InChIInChI=1S/C18H20N4O2S/c1-23-14-3-2-4-15-17(14)21-18(25-15)22-9-5-13(6-10-22)12-24-16-11-19-7-8-20-16/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyHGPVQVPYPCZWBJ-UHFFFAOYSA-N
XLogP3.39
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154575945
4-methoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705378
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 43983088
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
CID 16849815
6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 163354942
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
1-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603719
4,7-dimethoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171704465
N-[1-(4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328849

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole (CID 154581269) is 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole is COc1cccc2sc(N3CCC(COc4cnccn4)CC3)nc12.
What is the InChIKey of 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is HGPVQVPYPCZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-23-14-3-2-4-15-17(14)21-18(25-15)22-9-5-13(6-10-22)12-24-16-11-19-7-8-20-16/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3.
What are the key properties of 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 356.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 154581269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).