1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone

C24H18N2O3S — CID 59327250

IUPAC1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2O3S/c27-22(24-26-20-5-1-2-6-21(20)30-24)17-7-9-18(10-8-17)29-23-19(4-3-13-25-23)16-11-14-28-15-12-16/h1-11,13H,12,14-15H2
InChIKeyGESKCVWSNBLYAI-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.52
Rot. Bonds5

About 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone

1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59327250) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59327250
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2O3S/c27-22(24-26-20-5-1-2-6-21(20)30-24)17-7-9-18(10-8-17)29-23-19(4-3-13-25-23)16-11-14-28-15-12-16/h1-11,13H,12,14-15H2
InChIKeyGESKCVWSNBLYAI-UHFFFAOYSA-N
XLogP5.52
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59327250) is 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2C2=CCOCC2)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is GESKCVWSNBLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-22(24-26-20-5-1-2-6-21(20)30-24)17-7-9-18(10-8-17)29-23-19(4-3-13-25-23)16-11-14-28-15-12-16/h1-11,13H,12,14-15H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 414.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59327250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).