1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone

C16H13N3O2S — CID 122247042

IUPAC1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1ccc2ncsc2c1)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C16H13N3O2S/c20-16(11-4-5-13-14(7-11)22-10-18-13)19-8-12(9-19)21-15-3-1-2-6-17-15/h1-7,10,12H,8-9H2
InChIKeyFBCUWWCRZHIBHQ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.59
Rot. Bonds3

About 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone

1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122247042) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone
PubChem CID122247042
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1ccc2ncsc2c1)N1CC(Oc2ccccn2)C1
InChIInChI=1S/C16H13N3O2S/c20-16(11-4-5-13-14(7-11)22-10-18-13)19-8-12(9-19)21-15-3-1-2-6-17-15/h1-7,10,12H,8-9H2
InChIKeyFBCUWWCRZHIBHQ-UHFFFAOYSA-N
XLogP2.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247836
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
1,3-benzothiazol-6-yl-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 146080704
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-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625612
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
CID 167875360
(2-chlorophenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247119
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
1,3-benzothiazol-6-yl-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]methanone
CID 139028278
(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247268
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627966

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone (CID 122247042) is 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone is O=C(c1ccc2ncsc2c1)N1CC(Oc2ccccn2)C1.
What is the InChIKey of 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is FBCUWWCRZHIBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-16(11-4-5-13-14(7-11)22-10-18-13)19-8-12(9-19)21-15-3-1-2-6-17-15/h1-7,10,12H,8-9H2.
What are the key properties of 1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone?
1,3-benzothiazol-6-yl-(3-pyridin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 311.37 g/mol, XLogP of 2.59, 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-pyridin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122247042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).