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

C17H14F2N2O3S — CID 46237012

IUPAC3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
SMILESCCOc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C17H14F2N2O3S/c1-2-23-9-3-6-13-11(7-9)21-14(25-13)8-24-12-5-4-10(18)15(16(12)19)17(20)22/h3-7H,2,8H2,1H3,(H2,20,22)
InChIKeyNOUYOZFPJITNNK-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.65
Rot. Bonds6

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

3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide (PubChem CID 46237012) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
PubChem CID46237012
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
SMILESCCOc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C17H14F2N2O3S/c1-2-23-9-3-6-13-11(7-9)21-14(25-13)8-24-12-5-4-10(18)15(16(12)19)17(20)22/h3-7H,2,8H2,1H3,(H2,20,22)
InChIKeyNOUYOZFPJITNNK-UHFFFAOYSA-N
XLogP3.65
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide (CID 46237012) is 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide is CCOc1ccc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1.
What is the InChIKey of 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
The InChIKey is NOUYOZFPJITNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-2-23-9-3-6-13-11(7-9)21-14(25-13)8-24-12-5-4-10(18)15(16(12)19)17(20)22/h3-7H,2,8H2,1H3,(H2,20,22).
What are the key properties of 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide has a molecular weight of 364.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 46237012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).