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

C21H14F2N2O3S — CID 59402767

IUPAC2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(-c4ccccc4O)ccc3s2)c1F
InChIInChI=1S/C21H14F2N2O3S/c22-13-6-7-16(20(23)19(13)21(24)27)28-10-18-25-14-9-11(5-8-17(14)29-18)12-3-1-2-4-15(12)26/h1-9,26H,10H2,(H2,24,27)
InChIKeyHQCKOCYQJOHWMB-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.62
Rot. Bonds5

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

2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide (PubChem CID 59402767) has the molecular formula C21H14F2N2O3S and a molecular weight of 412.42 g/mol. Its IUPAC name is 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
PubChem CID59402767
Molecular FormulaC21H14F2N2O3S
Molecular Weight412.42 g/mol
Exact Mass412.07
IUPAC Name2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(-c4ccccc4O)ccc3s2)c1F
InChIInChI=1S/C21H14F2N2O3S/c22-13-6-7-16(20(23)19(13)21(24)27)28-10-18-25-14-9-11(5-8-17(14)29-18)12-3-1-2-4-15(12)26/h1-9,26H,10H2,(H2,24,27)
InChIKeyHQCKOCYQJOHWMB-UHFFFAOYSA-N
XLogP4.62
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-Benzothiazol-2-ylmethoxy)benzamide
CID 7642112
N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-oxidanylidene-chromene-2-carboxamide
CID 5087562
4-[[[3-[(5-Fluoro-1,3-benzothiazol-2-yl)methoxy]benzoyl]amino]methyl]benzoic acid
CID 137648241
2-[(3-Carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-5-carboxylic acid
CID 46236616
2,6-Difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzenecarboxamide
CID 46237268
2,6-Difluoro-3-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]benzenecarboxamide
CID 46237271
3-[(5-Amino-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46236611
2-[(3-Carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-5-carboxamide
CID 46236761
3-[[5-(Dimethylamino)-1,3-benzothiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 46237134
2,6-Difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237269
2,6-Difluoro-3-[(6-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237270
2,6-Difluoro-3-[(7-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237272

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide (CID 59402767) is 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3cc(-c4ccccc4O)ccc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The InChIKey is HQCKOCYQJOHWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O3S/c22-13-6-7-16(20(23)19(13)21(24)27)28-10-18-25-14-9-11(5-8-17(14)29-18)12-3-1-2-4-15(12)26/h1-9,26H,10H2,(H2,24,27).
What are the key properties of 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide has a molecular weight of 412.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 59402767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).