[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C22H23N3OS — CID 90609321

IUPAC[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H23N3OS/c26-21(25-13-5-7-16-6-1-3-9-19(16)25)17-11-14-24(15-12-17)22-23-18-8-2-4-10-20(18)27-22/h1-4,6,8-10,17H,5,7,11-15H2
InChIKeyKTBBAEYADWWEPA-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.49
Rot. Bonds2

About [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 90609321) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID90609321
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H23N3OS/c26-21(25-13-5-7-16-6-1-3-9-19(16)25)17-11-14-24(15-12-17)22-23-18-8-2-4-10-20(18)27-22/h1-4,6,8-10,17H,5,7,11-15H2
InChIKeyKTBBAEYADWWEPA-UHFFFAOYSA-N
XLogP4.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90604006
3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90609763
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 16590198
1-[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 102561478
(2R)-1-[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370865
1-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 51687317
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127918
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 172902407

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 90609321) is [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCCc2ccccc21.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KTBBAEYADWWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-21(25-13-5-7-16-6-1-3-9-19(16)25)17-11-14-24(15-12-17)22-23-18-8-2-4-10-20(18)27-22/h1-4,6,8-10,17H,5,7,11-15H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 377.51 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 90609321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).