1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C20H22N2O2S2 — CID 154862464

IUPAC1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOc1ccc2nc(CN3CCC4(CC3)OCCc3ccsc34)sc2c1
InChIInChI=1S/C20H22N2O2S2/c1-23-15-2-3-16-17(12-15)26-18(21-16)13-22-8-6-20(7-9-22)19-14(4-10-24-20)5-11-25-19/h2-3,5,11-12H,4,6-10,13H2,1H3
InChIKeyQIJVCZHJXOFBDT-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.43
Rot. Bonds3

About 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 154862464) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID154862464
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOc1ccc2nc(CN3CCC4(CC3)OCCc3ccsc34)sc2c1
InChIInChI=1S/C20H22N2O2S2/c1-23-15-2-3-16-17(12-15)26-18(21-16)13-22-8-6-20(7-9-22)19-14(4-10-24-20)5-11-25-19/h2-3,5,11-12H,4,6-10,13H2,1H3
InChIKeyQIJVCZHJXOFBDT-UHFFFAOYSA-N
XLogP4.43
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-ol
CID 11416924
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylaniline
CID 11129817
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25210958
4-[(E)-2-[4-[6-(3-fluoropropoxy)-1,3-benzothiazol-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
CID 25210959
4-[6-(6-Methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]aniline
CID 44428897
2-(6-Ethoxybenzothiazol-2-ylthio)-1-(1,2,3,4-tetrahydroquinolyl)ethan-1-one
CID 1281679
6-Ethoxy-2-[(3-methylpiperidin-1-yl)carbonyl]-1,3-benzothiazole
CID 4558532
2-[1-(3-Phenoxypropyl)piperidin-4-yl]-1,3-benzothiazole
CID 17590403
4-[(E)-2-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 18830136
3-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]-N,N-dipropylpropan-1-amine;hydrate;hydrochloride
CID 49860295
2-[(E)-2-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethenyl]-1,3-benzothiazole;hydrate;hydrochloride
CID 49860315

Frequently Asked Questions

What is the IUPAC name of 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 154862464) is 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is COc1ccc2nc(CN3CCC4(CC3)OCCc3ccsc34)sc2c1.
What is the InChIKey of 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is QIJVCZHJXOFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-23-15-2-3-16-17(12-15)26-18(21-16)13-22-8-6-20(7-9-22)19-14(4-10-24-20)5-11-25-19/h2-3,5,11-12H,4,6-10,13H2,1H3.
What are the key properties of 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 386.54 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 154862464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).