2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone

C15H12N2O2S — CID 115580215

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c1-19-15-10(5-4-8-16-15)12(18)9-14-17-11-6-2-3-7-13(11)20-14/h2-8H,9H2,1H3
InChIKeyOJLPZPXPCGJTBT-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.13
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone (PubChem CID 115580215) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
PubChem CID115580215
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
SMILESCOc1ncccc1C(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c1-19-15-10(5-4-8-16-15)12(18)9-14-17-11-6-2-3-7-13(11)20-14/h2-8H,9H2,1H3
InChIKeyOJLPZPXPCGJTBT-UHFFFAOYSA-N
XLogP3.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486020
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754722
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 61033577
1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
CID 86238841
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
2-[4-[2-(1,3-benzothiazol-2-yl)acetyl]-2-ethyl-5-hydroxyphenoxy]acetate
CID 7024536
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone (CID 115580215) is 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone is COc1ncccc1C(=O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
The InChIKey is OJLPZPXPCGJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-15-10(5-4-8-16-15)12(18)9-14-17-11-6-2-3-7-13(11)20-14/h2-8H,9H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone has a molecular weight of 284.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 115580215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).