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

C20H12FNOS — CID 132514009

IUPAC[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H12FNOS/c21-14-11-9-13(10-12-14)19(23)15-5-1-2-6-16(15)20-22-17-7-3-4-8-18(17)24-20/h1-12H
InChIKeyCBRSQKKJWAFBRZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.33
Rot. Bonds3

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

[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone (PubChem CID 132514009) has the molecular formula C20H12FNOS and a molecular weight of 333.39 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone
PubChem CID132514009
Molecular FormulaC20H12FNOS
Molecular Weight333.39 g/mol
Exact Mass333.06
IUPAC Name[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H12FNOS/c21-14-11-9-13(10-12-14)19(23)15-5-1-2-6-16(15)20-22-17-7-3-4-8-18(17)24-20/h1-12H
InChIKeyCBRSQKKJWAFBRZ-UHFFFAOYSA-N
XLogP5.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 23944162
2-oxopropyl 2-(1,3-benzothiazol-2-yl)benzoate
CID 2581641
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 4673623
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-4-(trifluoromethyl)benzamide
CID 162385461
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
CID 141481149
2-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]aniline
CID 110826350
[2-(1,3-benzothiazol-2-yl)phenyl] naphthalene-2-carboxylate
CID 7936337
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-2-fluoroacetic acid
CID 79357409
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone (CID 132514009) is [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone?
The InChIKey is CBRSQKKJWAFBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNOS/c21-14-11-9-13(10-12-14)19(23)15-5-1-2-6-16(15)20-22-17-7-3-4-8-18(17)24-20/h1-12H.
What are the key properties of [2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone?
[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone has a molecular weight of 333.39 g/mol, XLogP of 5.33, 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)phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 132514009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).