1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone

C23H19N3O3S — CID 46214384

IUPAC1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C23H19N3O3S/c27-21(23-25-18-4-1-2-6-20(18)30-23)16-7-9-17(10-8-16)29-22-19(5-3-11-24-22)26-12-14-28-15-13-26/h1-11H,12-15H2
InChIKeyNAFFYPRSYNVTLO-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.55
Rot. Bonds5

About 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone

1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 46214384) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID46214384
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C23H19N3O3S/c27-21(23-25-18-4-1-2-6-20(18)30-23)16-7-9-17(10-8-16)29-22-19(5-3-11-24-22)26-12-14-28-15-13-26/h1-11H,12-15H2
InChIKeyNAFFYPRSYNVTLO-UHFFFAOYSA-N
XLogP4.55
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone (CID 46214384) is 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is NAFFYPRSYNVTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(23-25-18-4-1-2-6-20(18)30-23)16-7-9-17(10-8-16)29-22-19(5-3-11-24-22)26-12-14-28-15-13-26/h1-11H,12-15H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone?
1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 417.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 46214384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).