2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide

C17H10F2N4O3S — CID 46888549

IUPAC2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncno4)ccc3s2)c1F
InChIInChI=1S/C17H10F2N4O3S/c18-9-2-3-11(15(19)14(9)16(20)24)25-6-13-23-10-5-8(1-4-12(10)27-13)17-21-7-22-26-17/h1-5,7H,6H2,(H2,20,24)
InChIKeyVRTLGLOQUXFGTN-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.30
Rot. Bonds5

About 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide

2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide (PubChem CID 46888549) has the molecular formula C17H10F2N4O3S and a molecular weight of 388.36 g/mol. Its IUPAC name is 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
PubChem CID46888549
Molecular FormulaC17H10F2N4O3S
Molecular Weight388.36 g/mol
Exact Mass388.04
IUPAC Name2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncno4)ccc3s2)c1F
InChIInChI=1S/C17H10F2N4O3S/c18-9-2-3-11(15(19)14(9)16(20)24)25-6-13-23-10-5-8(1-4-12(10)27-13)17-21-7-22-26-17/h1-5,7H,6H2,(H2,20,24)
InChIKeyVRTLGLOQUXFGTN-UHFFFAOYSA-N
XLogP3.30
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide (CID 46888549) is 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncno4)ccc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The InChIKey is VRTLGLOQUXFGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O3S/c18-9-2-3-11(15(19)14(9)16(20)24)25-6-13-23-10-5-8(1-4-12(10)27-13)17-21-7-22-26-17/h1-5,7H,6H2,(H2,20,24).
What are the key properties of 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide has a molecular weight of 388.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 46888549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).