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

C16H12F2N2O2S — CID 46237268

IUPAC2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1
InChIInChI=1S/C16H12F2N2O2S/c1-8-2-4-10-12(6-8)23-13(20-10)7-22-11-5-3-9(17)14(15(11)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21)
InChIKeyFGMMALRBLYFEOL-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.56
Rot. Bonds4

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

2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide (PubChem CID 46237268) has the molecular formula C16H12F2N2O2S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
PubChem CID46237268
Molecular FormulaC16H12F2N2O2S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1
InChIInChI=1S/C16H12F2N2O2S/c1-8-2-4-10-12(6-8)23-13(20-10)7-22-11-5-3-9(17)14(15(11)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21)
InChIKeyFGMMALRBLYFEOL-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

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Related Compounds

methyl 2-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-6-carboxylate
CID 59402909
2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 67506078
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012
2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237267
2,6-difluoro-3-[(6-propyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 59403032
3-[[5-(cyclopenten-1-yl)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402666
3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237138
2,6-difluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)benzamide;ethane
CID 142447134
2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 59402767
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-6-fluoro-2-methylbenzamide;ethane
CID 143542920
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide (CID 46237268) is 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide is Cc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1.
What is the InChIKey of 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The InChIKey is FGMMALRBLYFEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2S/c1-8-2-4-10-12(6-8)23-13(20-10)7-22-11-5-3-9(17)14(15(11)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21).
What are the key properties of 2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(6-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-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 46237268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).