[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C17H15N3O3S — CID 71796183

IUPAC[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CC(Oc2nc3ccccc3s2)C1
InChIInChI=1S/C17H15N3O3S/c1-22-15-12(5-4-8-18-15)16(21)20-9-11(10-20)23-17-19-13-6-2-3-7-14(13)24-17/h2-8,11H,9-10H2,1H3
InChIKeyNSVQMWLUIRPVHV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.60
Rot. Bonds4

About [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 71796183) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID71796183
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CC(Oc2nc3ccccc3s2)C1
InChIInChI=1S/C17H15N3O3S/c1-22-15-12(5-4-8-18-15)16(21)20-9-11(10-20)23-17-19-13-6-2-3-7-14(13)24-17/h2-8,11H,9-10H2,1H3
InChIKeyNSVQMWLUIRPVHV-UHFFFAOYSA-N
XLogP2.60
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 71796183) is [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CC(Oc2nc3ccccc3s2)C1.
What is the InChIKey of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is NSVQMWLUIRPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-15-12(5-4-8-18-15)16(21)20-9-11(10-20)23-17-19-13-6-2-3-7-14(13)24-17/h2-8,11H,9-10H2,1H3.
What are the key properties of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 341.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 71796183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).