1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone

C14H8FNOS — CID 83393932

IUPAC1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
SMILESO=C(c1nc2ccccc2s1)c1ccccc1F
InChIInChI=1S/C14H8FNOS/c15-10-6-2-1-5-9(10)13(17)14-16-11-7-3-4-8-12(11)18-14/h1-8H
InChIKeyWIQLXGTZVPATRP-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.67
Rot. Bonds2

About 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone

1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone (PubChem CID 83393932) has the molecular formula C14H8FNOS and a molecular weight of 257.29 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
PubChem CID83393932
Molecular FormulaC14H8FNOS
Molecular Weight257.29 g/mol
Exact Mass257.03
IUPAC Name1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
SMILESO=C(c1nc2ccccc2s1)c1ccccc1F
InChIInChI=1S/C14H8FNOS/c15-10-6-2-1-5-9(10)13(17)14-16-11-7-3-4-8-12(11)18-14/h1-8H
InChIKeyWIQLXGTZVPATRP-UHFFFAOYSA-N
XLogP3.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone
CID 54160180
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 26729542
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
CID 22887490
[4-(1,3-benzothiazole-2-carbonyl)phenyl] acetate
CID 22373846
1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
CID 23764551
1-(1,3-benzothiazol-2-yl)-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 107692404

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone (CID 83393932) is 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone is O=C(c1nc2ccccc2s1)c1ccccc1F.
What is the InChIKey of 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone?
The InChIKey is WIQLXGTZVPATRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNOS/c15-10-6-2-1-5-9(10)13(17)14-16-11-7-3-4-8-12(11)18-14/h1-8H.
What are the key properties of 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone?
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone has a molecular weight of 257.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone is sourced from PubChem (CID 83393932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).