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

C20H14N2O2S — CID 59327227

IUPAC1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone
SMILESCc1cccnc1Oc1ccc(C(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H14N2O2S/c1-13-5-4-12-21-19(13)24-15-10-8-14(9-11-15)18(23)20-22-16-6-2-3-7-17(16)25-20/h2-12H,1H3
InChIKeyWMGANMWYCNPWMH-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.02
Rot. Bonds4

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

1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 59327227) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone
PubChem CID59327227
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone
SMILESCc1cccnc1Oc1ccc(C(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H14N2O2S/c1-13-5-4-12-21-19(13)24-15-10-8-14(9-11-15)18(23)20-22-16-6-2-3-7-17(16)25-20/h2-12H,1H3
InChIKeyWMGANMWYCNPWMH-UHFFFAOYSA-N
XLogP5.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone (CID 59327227) is 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone is Cc1cccnc1Oc1ccc(C(=O)c2nc3ccccc3s2)cc1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is WMGANMWYCNPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c1-13-5-4-12-21-19(13)24-15-10-8-14(9-11-15)18(23)20-22-16-6-2-3-7-17(16)25-20/h2-12H,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone?
1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 346.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 59327227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).