2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone

C18H16N2O2S — CID 126483327

IUPAC2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone
SMILESO=C(COc1nc2ccccc2s1)C1CCc2ccccc2N1
InChIInChI=1S/C18H16N2O2S/c21-16(14-10-9-12-5-1-2-6-13(12)19-14)11-22-18-20-15-7-3-4-8-17(15)23-18/h1-8,14,19H,9-11H2
InChIKeyXQRFOXWCMGTRGQ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.67
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone

2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone (PubChem CID 126483327) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone
PubChem CID126483327
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone
SMILESO=C(COc1nc2ccccc2s1)C1CCc2ccccc2N1
InChIInChI=1S/C18H16N2O2S/c21-16(14-10-9-12-5-1-2-6-13(12)19-14)11-22-18-20-15-7-3-4-8-17(15)23-18/h1-8,14,19H,9-11H2
InChIKeyXQRFOXWCMGTRGQ-UHFFFAOYSA-N
XLogP3.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yloxy)acetic acid;N-methylaniline
CID 70566955
2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone
CID 91403839
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
[4-(1,3-benzothiazol-2-yloxymethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 121106001
2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
bis(1,3-benzothiazol-2-yl) (E)-but-2-enedioate
CID 174377758
bis(1,3-benzothiazol-2-yl) benzene-1,3-dicarboxylate
CID 66591523
4-(1,3-benzothiazol-2-yloxy)cyclohexan-1-one
CID 138676550
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
2-(1,3-benzothiazol-2-yloxy)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 172888718
methyl 2-[[2-(1,3-benzothiazol-2-yloxymethyl)phenoxy]amino]prop-2-enoate
CID 56999944

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone (CID 126483327) is 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone is O=C(COc1nc2ccccc2s1)C1CCc2ccccc2N1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone?
The InChIKey is XQRFOXWCMGTRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-16(14-10-9-12-5-1-2-6-13(12)19-14)11-22-18-20-15-7-3-4-8-17(15)23-18/h1-8,14,19H,9-11H2.
What are the key properties of 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone?
2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone has a molecular weight of 324.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethanone is sourced from PubChem (CID 126483327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).