1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone

C16H12ClN3O2S — CID 122247836

IUPAC1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H12ClN3O2S/c17-12-2-1-5-18-15(12)22-11-7-20(8-11)16(21)10-3-4-13-14(6-10)23-9-19-13/h1-6,9,11H,7-8H2
InChIKeyGAFAPWIQHKOWTK-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.25
Rot. Bonds3

About 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone

1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 122247836) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID122247836
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H12ClN3O2S/c17-12-2-1-5-18-15(12)22-11-7-20(8-11)16(21)10-3-4-13-14(6-10)23-9-19-13/h1-6,9,11H,7-8H2
InChIKeyGAFAPWIQHKOWTK-UHFFFAOYSA-N
XLogP3.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247042
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
1,3-benzothiazol-6-yl-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 146080704
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627966
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247840
3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248094
(E)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122247850
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 122247836) is 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is GAFAPWIQHKOWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-12-2-1-5-18-15(12)22-11-7-20(8-11)16(21)10-3-4-13-14(6-10)23-9-19-13/h1-6,9,11H,7-8H2.
What are the key properties of 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 345.81 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122247836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).