2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone

C16H12FNOS2 — CID 7633504

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CSC1=Nc2ccccc2CS1)c1ccccc1F
InChIInChI=1S/C16H12FNOS2/c17-13-7-3-2-6-12(13)15(19)10-21-16-18-14-8-4-1-5-11(14)9-20-16/h1-8H,9-10H2
InChIKeyXEGPOWOMKJEVSQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.68
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone (PubChem CID 7633504) has the molecular formula C16H12FNOS2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
PubChem CID7633504
Molecular FormulaC16H12FNOS2
Molecular Weight317.41 g/mol
Exact Mass317.03
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CSC1=Nc2ccccc2CS1)c1ccccc1F
InChIInChI=1S/C16H12FNOS2/c17-13-7-3-2-6-12(13)15(19)10-21-16-18-14-8-4-1-5-11(14)9-20-16/h1-8H,9-10H2
InChIKeyXEGPOWOMKJEVSQ-UHFFFAOYSA-N
XLogP4.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzylsulfanyl-3,1-benzothiazin-4-one
CID 155188017
methyl 2,2-difluoro-3-oxo-N,3-diphenylpropanimidothioate
CID 53306999
2-(Methylthio)-4H-3,1-benzothiazin-4-one
CID 56955995
Isothiocyanatochalcone
CID 129707271
2-[(Benzylsulfanyl)methyl]-6-fluoro-1,4-dihydroquinolin-4-one
CID 22580254
6-fluoro-2-(phenylsulfanylmethyl)-3H-quinolin-4-one
CID 145918191
4(1H)-Quinolinone, 2-[[(2,3-difluorophenyl)methyl]thio]-
CID 23614324
2-[(4-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one
CID 23614336
2-[(2,4-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one
CID 60080589
2-[(3,4-difluorophenyl)methylsulfanyl]-1H-quinolin-4-one
CID 60080591
2-[(2,3-Difluorophenyl)methylsulfanyl]-1-methylquinolin-4-one
CID 70281759
ethyl 3-(2,4-difluorophenyl)-3-oxo-N-phenylpropanimidothioate
CID 90685564

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone (CID 7633504) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone is O=C(CSC1=Nc2ccccc2CS1)c1ccccc1F.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
The InChIKey is XEGPOWOMKJEVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS2/c17-13-7-3-2-6-12(13)15(19)10-21-16-18-14-8-4-1-5-11(14)9-20-16/h1-8H,9-10H2.
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 7633504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).