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

C14H8BrFN2OS — CID 103706835

IUPACN-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H8BrFN2OS/c15-10-5-8(1-3-11(10)16)14(19)18-9-2-4-12-13(6-9)20-7-17-12/h1-7H,(H,18,19)
InChIKeyVMEZIPKEDKSBGM-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.45
Rot. Bonds2

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

N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide (PubChem CID 103706835) has the molecular formula C14H8BrFN2OS and a molecular weight of 351.20 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
PubChem CID103706835
Molecular FormulaC14H8BrFN2OS
Molecular Weight351.20 g/mol
Exact Mass349.95
IUPAC NameN-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H8BrFN2OS/c15-10-5-8(1-3-11(10)16)14(19)18-9-2-4-12-13(6-9)20-7-17-12/h1-7H,(H,18,19)
InChIKeyVMEZIPKEDKSBGM-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide (CID 103706835) is N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide is O=C(Nc1ccc2ncsc2c1)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide?
The InChIKey is VMEZIPKEDKSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2OS/c15-10-5-8(1-3-11(10)16)14(19)18-9-2-4-12-13(6-9)20-7-17-12/h1-7H,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide?
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide has a molecular weight of 351.20 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 103706835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).