3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide

C15H10F2N2O2S — CID 46236896

IUPAC3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3ccccc3s2)c1F
InChIInChI=1S/C15H10F2N2O2S/c16-8-5-6-10(14(17)13(8)15(18)20)21-7-12-19-9-3-1-2-4-11(9)22-12/h1-6H,7H2,(H2,18,20)
InChIKeyXDASFEBADAXZQK-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.25
Rot. Bonds4

About 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide

3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide (PubChem CID 46236896) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide
PubChem CID46236896
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3ccccc3s2)c1F
InChIInChI=1S/C15H10F2N2O2S/c16-8-5-6-10(14(17)13(8)15(18)20)21-7-12-19-9-3-1-2-4-11(9)22-12/h1-6H,7H2,(H2,18,20)
InChIKeyXDASFEBADAXZQK-UHFFFAOYSA-N
XLogP3.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide (CID 46236896) is 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2nc3ccccc3s2)c1F.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide?
The InChIKey is XDASFEBADAXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-8-5-6-10(14(17)13(8)15(18)20)21-7-12-19-9-3-1-2-4-11(9)22-12/h1-6H,7H2,(H2,18,20).
What are the key properties of 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide?
3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide has a molecular weight of 320.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethoxy)-2,6-difluorobenzamide is sourced from PubChem (CID 46236896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).