3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide

C15H11FN2OS — CID 46224235

IUPAC3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
SMILESCc1ccc2nc(NC(=O)c3cccc([18F])c3)sc2c1
InChIInChI=1S/C15H11FN2OS/c1-9-5-6-12-13(7-9)20-15(17-12)18-14(19)10-3-2-4-11(16)8-10/h2-8H,1H3,(H,17,18,19)/i16-1
InChIKeyUWTQMHBKIRAWCG-GKTGUEEDSA-N
MW285.33 g/mol
LogP4.00
Rot. Bonds2

About 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide

3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide (PubChem CID 46224235) has the molecular formula C15H11FN2OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide.

Molecular Properties

Compound Name3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
PubChem CID46224235
Molecular FormulaC15H11FN2OS
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
SMILESCc1ccc2nc(NC(=O)c3cccc([18F])c3)sc2c1
InChIInChI=1S/C15H11FN2OS/c1-9-5-6-12-13(7-9)20-15(17-12)18-14(19)10-3-2-4-11(16)8-10/h2-8H,1H3,(H,17,18,19)/i16-1
InChIKeyUWTQMHBKIRAWCG-GKTGUEEDSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide 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

N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 53269170
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565106
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
3-(2-iodophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrobromide
CID 173070975
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434

Frequently Asked Questions

What is the IUPAC name of 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide?
The IUPAC name of 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide (CID 46224235) is 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide.
What is the SMILES notation for 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide?
The canonical SMILES for 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide is Cc1ccc2nc(NC(=O)c3cccc([18F])c3)sc2c1.
What is the InChIKey of 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide?
The InChIKey is UWTQMHBKIRAWCG-GKTGUEEDSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-9-5-6-12-13(7-9)20-15(17-12)18-14(19)10-3-2-4-11(16)8-10/h2-8H,1H3,(H,17,18,19)/i16-1.
What are the key properties of 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide?
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide has a molecular weight of 285.33 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide is sourced from PubChem (CID 46224235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).