N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide

C14H7BrF2N2OS — CID 156781452

IUPACN-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide
SMILESO=C(Nc1nsc2ccccc12)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H7BrF2N2OS/c15-7-5-9(16)12(10(17)6-7)14(20)18-13-8-3-1-2-4-11(8)21-19-13/h1-6H,(H,18,19,20)
InChIKeyGNBBZCQRJAPMHD-UHFFFAOYSA-N
MW369.19 g/mol
LogP4.59
Rot. Bonds2

About N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide

N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide (PubChem CID 156781452) has the molecular formula C14H7BrF2N2OS and a molecular weight of 369.19 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide
PubChem CID156781452
Molecular FormulaC14H7BrF2N2OS
Molecular Weight369.19 g/mol
Exact Mass367.94
IUPAC NameN-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide
SMILESO=C(Nc1nsc2ccccc12)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H7BrF2N2OS/c15-7-5-9(16)12(10(17)6-7)14(20)18-13-8-3-1-2-4-11(8)21-19-13/h1-6H,(H,18,19,20)
InChIKeyGNBBZCQRJAPMHD-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-benzothiazol-3-yl)-2-fluorobenzamide
CID 156781454
N-(1,2-benzothiazol-3-yl)-4-bromo-2-methylbenzamide
CID 156781458
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 113253817
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2,5-difluorobenzamide
CID 57436445
4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 154793756
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 57436450
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
N-(1,2-benzothiazol-3-yl)-3-(diethylamino)propanamide
CID 14762224
4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
CID 81271266
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide?
The IUPAC name of N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide (CID 156781452) is N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide?
The canonical SMILES for N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide is O=C(Nc1nsc2ccccc12)c1c(F)cc(Br)cc1F.
What is the InChIKey of N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide?
The InChIKey is GNBBZCQRJAPMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2OS/c15-7-5-9(16)12(10(17)6-7)14(20)18-13-8-3-1-2-4-11(8)21-19-13/h1-6H,(H,18,19,20).
What are the key properties of N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide?
N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide has a molecular weight of 369.19 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-yl)-4-bromo-2,6-difluorobenzamide is sourced from PubChem (CID 156781452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).