2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide

C16H12F2N2O2S — CID 46237267

IUPAC2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCc1cccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc12
InChIInChI=1S/C16H12F2N2O2S/c1-8-3-2-4-11-15(8)20-12(23-11)7-22-10-6-5-9(17)13(14(10)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21)
InChIKeyKZQJDBQWDJMPHR-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.56
Rot. Bonds4

About 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide

2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide (PubChem CID 46237267) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
PubChem CID46237267
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCc1cccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc12
InChIInChI=1S/C16H12F2N2O2S/c1-8-3-2-4-11-15(8)20-12(23-11)7-22-10-6-5-9(17)13(14(10)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21)
InChIKeyKZQJDBQWDJMPHR-UHFFFAOYSA-N
XLogP3.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide 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 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide (CID 46237267) is 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide is Cc1cccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc12.
What is the InChIKey of 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The InChIKey is KZQJDBQWDJMPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-8-3-2-4-11-15(8)20-12(23-11)7-22-10-6-5-9(17)13(14(10)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21).
What are the key properties of 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide has a molecular weight of 334.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 46237267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).