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

C18H20N4O2S — CID 163354942

IUPAC6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCCC(COc4cnccn4)C3)sc2c1
InChIInChI=1S/C18H20N4O2S/c1-23-14-4-5-15-16(9-14)25-18(21-15)22-8-2-3-13(11-22)12-24-17-10-19-6-7-20-17/h4-7,9-10,13H,2-3,8,11-12H2,1H3
InChIKeyAAXIDZYXTPUBQZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.39
Rot. Bonds5

About 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole

6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 163354942) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
PubChem CID163354942
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CCCC(COc4cnccn4)C3)sc2c1
InChIInChI=1S/C18H20N4O2S/c1-23-14-4-5-15-16(9-14)25-18(21-15)22-8-2-3-13(11-22)12-24-17-10-19-6-7-20-17/h4-7,9-10,13H,2-3,8,11-12H2,1H3
InChIKeyAAXIDZYXTPUBQZ-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

4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154575945
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methoxy-1,3-benzothiazole
CID 23728788
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 71802535
5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163354137
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154581269
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068
6-fluoro-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705365

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole (CID 163354942) is 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole is COc1ccc2nc(N3CCCC(COc4cnccn4)C3)sc2c1.
What is the InChIKey of 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is AAXIDZYXTPUBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-23-14-4-5-15-16(9-14)25-18(21-15)22-8-2-3-13(11-22)12-24-17-10-19-6-7-20-17/h4-7,9-10,13H,2-3,8,11-12H2,1H3.
What are the key properties of 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole?
6-methoxy-2-[3-(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 6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 163354942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).