N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide

C16H12FN3O2S — CID 972470

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1
InChIInChI=1S/C16H12FN3O2S/c1-9(21)18-12-5-6-13-14(8-12)23-16(19-13)20-15(22)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyCJYQXBKBOUIEND-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.65
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide (PubChem CID 972470) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide
PubChem CID972470
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1
InChIInChI=1S/C16H12FN3O2S/c1-9(21)18-12-5-6-13-14(8-12)23-16(19-13)20-15(22)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyCJYQXBKBOUIEND-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide (CID 972470) is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide is CC(=O)Nc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide?
The InChIKey is CJYQXBKBOUIEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c1-9(21)18-12-5-6-13-14(8-12)23-16(19-13)20-15(22)10-3-2-4-11(17)7-10/h2-8H,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide has a molecular weight of 329.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 972470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).