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

C14H8F2N2O2S — CID 46236895

IUPAC3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(Oc2nc3ccccc3s2)c1F
InChIInChI=1S/C14H8F2N2O2S/c15-7-5-6-9(12(16)11(7)13(17)19)20-14-18-8-3-1-2-4-10(8)21-14/h1-6H,(H2,17,19)
InChIKeyVKLBVECMRUTRNV-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.47
Rot. Bonds3

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

3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide (PubChem CID 46236895) has the molecular formula C14H8F2N2O2S and a molecular weight of 306.29 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide
PubChem CID46236895
Molecular FormulaC14H8F2N2O2S
Molecular Weight306.29 g/mol
Exact Mass306.03
IUPAC Name3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(Oc2nc3ccccc3s2)c1F
InChIInChI=1S/C14H8F2N2O2S/c15-7-5-6-9(12(16)11(7)13(17)19)20-14-18-8-3-1-2-4-10(8)21-14/h1-6H,(H2,17,19)
InChIKeyVKLBVECMRUTRNV-UHFFFAOYSA-N
XLogP3.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.47
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-yloxy)-2,6-difluorobenzamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide (CID 46236895) is 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(Oc2nc3ccccc3s2)c1F.
What is the InChIKey of 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide?
The InChIKey is VKLBVECMRUTRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2S/c15-7-5-6-9(12(16)11(7)13(17)19)20-14-18-8-3-1-2-4-10(8)21-14/h1-6H,(H2,17,19).
What are the key properties of 3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide?
3-(1,3-benzothiazol-2-yloxy)-2,6-difluorobenzamide has a molecular weight of 306.29 g/mol, XLogP of 3.47, 3 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-yloxy)-2,6-difluorobenzamide is sourced from PubChem (CID 46236895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).