3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide

C23H27FN2O2S — CID 139712192

IUPAC3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide
SMILESO=S1CN(CCN2CCC(Oc3ccc(F)c4c3CCC4)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O2S/c24-20-8-9-22(19-5-3-4-18(19)20)28-17-10-12-25(13-11-17)14-15-26-16-29(27)23-7-2-1-6-21(23)26/h1-2,6-9,17H,3-5,10-16H2
InChIKeyBCCDZRWXMLBTFS-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.74
Rot. Bonds5

About 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide

3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide (PubChem CID 139712192) has the molecular formula C23H27FN2O2S and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide.

Molecular Properties

Compound Name3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide
PubChem CID139712192
Molecular FormulaC23H27FN2O2S
Molecular Weight414.55 g/mol
Exact Mass414.18
IUPAC Name3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide
SMILESO=S1CN(CCN2CCC(Oc3ccc(F)c4c3CCC4)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O2S/c24-20-8-9-22(19-5-3-4-18(19)20)28-17-10-12-25(13-11-17)14-15-26-16-29(27)23-7-2-1-6-21(23)26/h1-2,6-9,17H,3-5,10-16H2
InChIKeyBCCDZRWXMLBTFS-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide with MolForge

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Related Compounds

3-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]-N-methyl-N-pyridin-3-ylpropanamide
CID 139712203
8-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-7H-purine
CID 139712164
4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethylcyclohexan-1-amine
CID 139677462
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
8-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 134231151
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
1-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidine
CID 139677487
4-fluoro-7-methoxy-2,3-dihydro-1H-indene
CID 23208941
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 112836293
4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
CID 42512908
1-[2-[4-(2-fluorophenoxy)piperidin-1-yl]ethyl]indazole;2,2,2-trifluoroacetic acid
CID 154887716
(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide?
The IUPAC name of 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide (CID 139712192) is 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide.
What is the SMILES notation for 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide?
The canonical SMILES for 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide is O=S1CN(CCN2CCC(Oc3ccc(F)c4c3CCC4)CC2)c2ccccc21.
What is the InChIKey of 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide?
The InChIKey is BCCDZRWXMLBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2S/c24-20-8-9-22(19-5-3-4-18(19)20)28-17-10-12-25(13-11-17)14-15-26-16-29(27)23-7-2-1-6-21(23)26/h1-2,6-9,17H,3-5,10-16H2.
What are the key properties of 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide?
3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide has a molecular weight of 414.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]piperidin-1-yl]ethyl]-2H-1,3-benzothiazole 1-oxide is sourced from PubChem (CID 139712192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).