N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide

C14H9BrFN3OS — CID 114558355

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide
SMILESNc1ccc2nc(NC(=O)c3c(F)cccc3Br)sc2c1
InChIInChI=1S/C14H9BrFN3OS/c15-8-2-1-3-9(16)12(8)13(20)19-14-18-10-5-4-7(17)6-11(10)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeyYLVSRGGNDAXALB-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.03
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide (PubChem CID 114558355) has the molecular formula C14H9BrFN3OS and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide
PubChem CID114558355
Molecular FormulaC14H9BrFN3OS
Molecular Weight366.22 g/mol
Exact Mass364.96
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide
SMILESNc1ccc2nc(NC(=O)c3c(F)cccc3Br)sc2c1
InChIInChI=1S/C14H9BrFN3OS/c15-8-2-1-3-9(16)12(8)13(20)19-14-18-10-5-4-7(17)6-11(10)21-14/h1-6H,17H2,(H,18,19,20)
InChIKeyYLVSRGGNDAXALB-UHFFFAOYSA-N
XLogP4.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dibromo-1H-pyrrole-2-carboxamide
CID 134146043
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-chloro-6-fluoro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 43952178
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
2-N-(3-bromo-4-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 104775625
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide (CID 114558355) is N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide is Nc1ccc2nc(NC(=O)c3c(F)cccc3Br)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide?
The InChIKey is YLVSRGGNDAXALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3OS/c15-8-2-1-3-9(16)12(8)13(20)19-14-18-10-5-4-7(17)6-11(10)21-14/h1-6H,17H2,(H,18,19,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide has a molecular weight of 366.22 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide is sourced from PubChem (CID 114558355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).