2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone

C16H12FNOS — CID 63213569

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2nc3ccccc3s2)ccc1F
InChIInChI=1S/C16H12FNOS/c1-10-8-11(6-7-12(10)17)14(19)9-16-18-13-4-2-3-5-15(13)20-16/h2-8H,9H2,1H3
InChIKeyGSTTUWBAXOJNPN-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.17
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 63213569) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID63213569
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2nc3ccccc3s2)ccc1F
InChIInChI=1S/C16H12FNOS/c1-10-8-11(6-7-12(10)17)14(19)9-16-18-13-4-2-3-5-15(13)20-16/h2-8H,9H2,1H3
InChIKeyGSTTUWBAXOJNPN-UHFFFAOYSA-N
XLogP4.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754722
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
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 86912815
1-(1,3-benzothiazol-2-yl)-3-(2,6-difluorophenyl)propan-2-one
CID 115787180
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 63213569) is 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)Cc2nc3ccccc3s2)ccc1F.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is GSTTUWBAXOJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-10-8-11(6-7-12(10)17)14(19)9-16-18-13-4-2-3-5-15(13)20-16/h2-8H,9H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 285.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 63213569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).