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

C18H12F2N4O2S — CID 46236615

IUPAC2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncc[nH]4)ccc3s2)c1F
InChIInChI=1S/C18H12F2N4O2S/c19-10-2-3-12(16(20)15(10)17(21)25)26-8-14-24-11-7-9(1-4-13(11)27-14)18-22-5-6-23-18/h1-7H,8H2,(H2,21,25)(H,22,23)
InChIKeyOARDKQCRJVTQMS-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.64
Rot. Bonds5

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

2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide (PubChem CID 46236615) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
PubChem CID46236615
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Name2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncc[nH]4)ccc3s2)c1F
InChIInChI=1S/C18H12F2N4O2S/c19-10-2-3-12(16(20)15(10)17(21)25)26-8-14-24-11-7-9(1-4-13(11)27-14)18-22-5-6-23-18/h1-7H,8H2,(H2,21,25)(H,22,23)
InChIKeyOARDKQCRJVTQMS-UHFFFAOYSA-N
XLogP3.64
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
CID 155547142
N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 45898453
2,6-Difluoro-3-[[5-(1,2,4-oxadiazol-5-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 46888549
N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
CID 155564709
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 16824215
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(1-methyl-2-imidazolyl)methoxy]benzamide
CID 45898490
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 18589921
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 41561009
N-[5-[2-[4-amino-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358567
N-(5,7-difluoro-1,3-benzothiazol-2-yl)-2-[2-(1H-imidazol-5-yl)phenoxy]acetamide
CID 44468073
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide
CID 57109678
2-fluoro-N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
CID 58236647

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide (CID 46236615) is 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3cc(-c4ncc[nH]4)ccc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
The InChIKey is OARDKQCRJVTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c19-10-2-3-12(16(20)15(10)17(21)25)26-8-14-24-11-7-9(1-4-13(11)27-14)18-22-5-6-23-18/h1-7H,8H2,(H2,21,25)(H,22,23).
What are the key properties of 2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide has a molecular weight of 386.38 g/mol, XLogP of 3.64, 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-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 46236615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).