1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone

C15H11NOS — CID 11821106

IUPAC1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H11NOS/c1-10(17)11-6-8-12(9-7-11)15-16-13-4-2-3-5-14(13)18-15/h2-9H,1H3
InChIKeyVIGPFTPPMBYFTN-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.17
Rot. Bonds2

About 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone

1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone (PubChem CID 11821106) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
PubChem CID11821106
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H11NOS/c1-10(17)11-6-8-12(9-7-11)15-16-13-4-2-3-5-14(13)18-15/h2-9H,1H3
InChIKeyVIGPFTPPMBYFTN-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylprop-2-enamide
CID 9349652
3-[4-(1,3-benzothiazol-2-yl)phenoxy]butan-2-one
CID 60623850
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)ethanone
CID 148599275
prop-2-ynyl 4-(1,3-benzothiazol-2-yl)benzoate
CID 95909315
(4-acetylphenyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 9043335
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone (CID 11821106) is 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone is CC(=O)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone?
The InChIKey is VIGPFTPPMBYFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c1-10(17)11-6-8-12(9-7-11)15-16-13-4-2-3-5-14(13)18-15/h2-9H,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone?
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone has a molecular weight of 253.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 11821106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).