3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide

C17H15F2N3O2S — CID 46237134

IUPAC3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESCN(C)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C17H15F2N3O2S/c1-22(2)9-3-6-13-11(7-9)21-14(25-13)8-24-12-5-4-10(18)15(16(12)19)17(20)23/h3-7H,8H2,1-2H3,(H2,20,23)
InChIKeyJJTXMWLXISGCOX-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.32
Rot. Bonds5

About 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide

3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 46237134) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
PubChem CID46237134
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESCN(C)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C17H15F2N3O2S/c1-22(2)9-3-6-13-11(7-9)21-14(25-13)8-24-12-5-4-10(18)15(16(12)19)17(20)23/h3-7H,8H2,1-2H3,(H2,20,23)
InChIKeyJJTXMWLXISGCOX-UHFFFAOYSA-N
XLogP3.32
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide (CID 46237134) is 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide is CN(C)c1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is JJTXMWLXISGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-22(2)9-3-6-13-11(7-9)21-14(25-13)8-24-12-5-4-10(18)15(16(12)19)17(20)23/h3-7H,8H2,1-2H3,(H2,20,23).
What are the key properties of 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide?
3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 363.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 46237134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).