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

C16H12F2N2O3S — CID 46237271

IUPAC2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCOc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1
InChIInChI=1S/C16H12F2N2O3S/c1-22-8-2-4-10-12(6-8)24-13(20-10)7-23-11-5-3-9(17)14(15(11)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21)
InChIKeyGSXBEHIPXIEOFU-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.26
Rot. Bonds5

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

2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide (PubChem CID 46237271) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide
PubChem CID46237271
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Name2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESCOc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1
InChIInChI=1S/C16H12F2N2O3S/c1-22-8-2-4-10-12(6-8)24-13(20-10)7-23-11-5-3-9(17)14(15(11)18)16(19)21/h2-6H,7H2,1H3,(H2,19,21)
InChIKeyGSXBEHIPXIEOFU-UHFFFAOYSA-N
XLogP3.26
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide (CID 46237271) is 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide is COc1ccc2nc(COc3ccc(F)c(C(N)=O)c3F)sc2c1.
What is the InChIKey of 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide?
The InChIKey is GSXBEHIPXIEOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-22-8-2-4-10-12(6-8)24-13(20-10)7-23-11-5-3-9(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-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide has a molecular weight of 350.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 46237271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).