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

C20H19N3OS — CID 90604006

IUPAC[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CN(c2nc3ccccc3s2)C1)N1CCCc2ccccc21
InChIInChI=1S/C20H19N3OS/c24-19(23-11-5-7-14-6-1-3-9-17(14)23)15-12-22(13-15)20-21-16-8-2-4-10-18(16)25-20/h1-4,6,8-10,15H,5,7,11-13H2
InChIKeyPUPJUOPSNYOXBE-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.71
Rot. Bonds2

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

[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 90604006) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID90604006
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CN(c2nc3ccccc3s2)C1)N1CCCc2ccccc21
InChIInChI=1S/C20H19N3OS/c24-19(23-11-5-7-14-6-1-3-9-17(14)23)15-12-22(13-15)20-21-16-8-2-4-10-18(16)25-20/h1-4,6,8-10,15H,5,7,11-13H2
InChIKeyPUPJUOPSNYOXBE-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90609321
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127918
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)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 90603946
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 16590198
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 42886374
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 90609927
2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
CID 133455687
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 90604006) is [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CN(c2nc3ccccc3s2)C1)N1CCCc2ccccc21.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PUPJUOPSNYOXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-19(23-11-5-7-14-6-1-3-9-17(14)23)15-12-22(13-15)20-21-16-8-2-4-10-18(16)25-20/h1-4,6,8-10,15H,5,7,11-13H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 349.46 g/mol, XLogP of 3.71, 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)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 90604006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).