N-(7-nitro-1,3-benzothiazol-2-yl)benzamide

C14H9N3O3S — CID 13481964

IUPACN-(7-nitro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cccc([N+](=O)[O-])c2s1)c1ccccc1
InChIInChI=1S/C14H9N3O3S/c18-13(9-5-2-1-3-6-9)16-14-15-10-7-4-8-11(17(19)20)12(10)21-14/h1-8H,(H,15,16,18)
InChIKeyIBNDPCZLXIGLIC-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.46
Rot. Bonds3

About N-(7-nitro-1,3-benzothiazol-2-yl)benzamide

N-(7-nitro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 13481964) has the molecular formula C14H9N3O3S and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(7-nitro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-nitro-1,3-benzothiazol-2-yl)benzamide
PubChem CID13481964
Molecular FormulaC14H9N3O3S
Molecular Weight299.31 g/mol
Exact Mass299.04
IUPAC NameN-(7-nitro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2cccc([N+](=O)[O-])c2s1)c1ccccc1
InChIInChI=1S/C14H9N3O3S/c18-13(9-5-2-1-3-6-9)16-14-15-10-7-4-8-11(17(19)20)12(10)21-14/h1-8H,(H,15,16,18)
InChIKeyIBNDPCZLXIGLIC-UHFFFAOYSA-N
XLogP3.46
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(7-nitro-1,3-benzothiazol-2-yl)acetamide
CID 5004315
N-(7-methyl-4-nitro-1,3-benzothiazol-2-yl)benzamide
CID 22015740
3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 1308942
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7193011
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 171486825
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(6,7-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide;ethane
CID 154659407
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 47028167
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981

Frequently Asked Questions

What is the IUPAC name of N-(7-nitro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(7-nitro-1,3-benzothiazol-2-yl)benzamide (CID 13481964) is N-(7-nitro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(7-nitro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(7-nitro-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2cccc([N+](=O)[O-])c2s1)c1ccccc1.
What is the InChIKey of N-(7-nitro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IBNDPCZLXIGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3S/c18-13(9-5-2-1-3-6-9)16-14-15-10-7-4-8-11(17(19)20)12(10)21-14/h1-8H,(H,15,16,18).
What are the key properties of N-(7-nitro-1,3-benzothiazol-2-yl)benzamide?
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 299.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-nitro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 13481964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).