1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone

C15H14N2OS — CID 141241760

IUPAC1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(C2Sc3ccccc3N2C)n1
InChIInChI=1S/C15H14N2OS/c1-10(18)11-6-5-7-12(16-11)15-17(2)13-8-3-4-9-14(13)19-15/h3-9,15H,1-2H3
InChIKeyOFJGVODUXTZGEE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.52
Rot. Bonds2

About 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone

1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone (PubChem CID 141241760) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone
PubChem CID141241760
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(C2Sc3ccccc3N2C)n1
InChIInChI=1S/C15H14N2OS/c1-10(18)11-6-5-7-12(16-11)15-17(2)13-8-3-4-9-14(13)19-15/h3-9,15H,1-2H3
InChIKeyOFJGVODUXTZGEE-UHFFFAOYSA-N
XLogP3.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methyl-2H-1,3-benzothiazol-2-yl)phenyl]ethanone;hydrobromide
CID 174480270
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 175255836
4-(3-methyl-2H-1,3-benzothiazol-2-yl)butan-2-one
CID 14360336
3-methyl-2H-1,3-benzothiazole-2-carbaldehyde
CID 174407805
3-methyl-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)sulfonyl]-2H-1,3-benzothiazole
CID 174831348
2,3-dimethyl-2H-1,3-benzothiazole;methanesulfonic acid
CID 174323194
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
3-methyl-2-methylsulfonyl-2H-1,3-benzothiazole
CID 141122930
(3-methyl-2H-1,3-benzothiazol-2-yl)methanesulfinic acid
CID 174635092
1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone
CID 167351249
4-(3-methyl-2H-1,3-benzothiazol-2-yl)but-2-en-2-ol
CID 126516811

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone (CID 141241760) is 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone is CC(=O)c1cccc(C2Sc3ccccc3N2C)n1.
What is the InChIKey of 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone?
The InChIKey is OFJGVODUXTZGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10(18)11-6-5-7-12(16-11)15-17(2)13-8-3-4-9-14(13)19-15/h3-9,15H,1-2H3.
What are the key properties of 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone?
1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone has a molecular weight of 270.36 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 141241760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).