2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone

C15H12N2OS — CID 106754722

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2nc3ccccc3s2)ccn1
InChIInChI=1S/C15H12N2OS/c1-10-8-11(6-7-16-10)13(18)9-15-17-12-4-2-3-5-14(12)19-15/h2-8H,9H2,1H3
InChIKeyTVNOFADNEBVZLU-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.43
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone (PubChem CID 106754722) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone
PubChem CID106754722
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2nc3ccccc3s2)ccn1
InChIInChI=1S/C15H12N2OS/c1-10-8-11(6-7-16-10)13(18)9-15-17-12-4-2-3-5-14(12)19-15/h2-8H,9H2,1H3
InChIKeyTVNOFADNEBVZLU-UHFFFAOYSA-N
XLogP3.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63213569
2-(1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 28934993
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966
1-(3-amino-4-chlorophenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116552292
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 61033577
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 115580215
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone (CID 106754722) is 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone is Cc1cc(C(=O)Cc2nc3ccccc3s2)ccn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone?
The InChIKey is TVNOFADNEBVZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-8-11(6-7-16-10)13(18)9-15-17-12-4-2-3-5-14(12)19-15/h2-8H,9H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone has a molecular weight of 268.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 106754722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).