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

C14H8BrN3O2S — CID 143038255

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
SMILESO=Nc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C14H8BrN3O2S/c15-9-3-6-11-12(7-9)21-14(16-11)17-13(19)8-1-4-10(18-20)5-2-8/h1-7H,(H,16,17,19)
InChIKeyZYDLOWIRNRZWBE-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.71
Rot. Bonds3

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

N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide (PubChem CID 143038255) has the molecular formula C14H8BrN3O2S and a molecular weight of 362.21 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
PubChem CID143038255
Molecular FormulaC14H8BrN3O2S
Molecular Weight362.21 g/mol
Exact Mass360.95
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
SMILESO=Nc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1
InChIInChI=1S/C14H8BrN3O2S/c15-9-3-6-11-12(7-9)21-14(16-11)17-13(19)8-1-4-10(18-20)5-2-8/h1-7H,(H,16,17,19)
InChIKeyZYDLOWIRNRZWBE-UHFFFAOYSA-N
XLogP4.71
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-(6-nitroso-1,3-benzothiazol-2-yl)benzamide
CID 143038300
N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
4-bromo-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]benzamide
CID 2398712
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23907634
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
CID 130288197
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide (CID 143038255) is N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide is O=Nc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide?
The InChIKey is ZYDLOWIRNRZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O2S/c15-9-3-6-11-12(7-9)21-14(16-11)17-13(19)8-1-4-10(18-20)5-2-8/h1-7H,(H,16,17,19).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide has a molecular weight of 362.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide is sourced from PubChem (CID 143038255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).