N-(6-cyano-1,3-benzothiazol-2-yl)benzamide

C15H9N3OS — CID 25259294

IUPACN-(6-cyano-1,3-benzothiazol-2-yl)benzamide
SMILESN#Cc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H9N3OS/c16-9-10-6-7-12-13(8-10)20-15(17-12)18-14(19)11-4-2-1-3-5-11/h1-8H,(H,17,18,19)
InChIKeyZJIJLKRBZAQWSS-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.42
Rot. Bonds2

About N-(6-cyano-1,3-benzothiazol-2-yl)benzamide

N-(6-cyano-1,3-benzothiazol-2-yl)benzamide (PubChem CID 25259294) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(6-cyano-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-cyano-1,3-benzothiazol-2-yl)benzamide
PubChem CID25259294
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC NameN-(6-cyano-1,3-benzothiazol-2-yl)benzamide
SMILESN#Cc1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H9N3OS/c16-9-10-6-7-12-13(8-10)20-15(17-12)18-14(19)11-4-2-1-3-5-11/h1-8H,(H,17,18,19)
InChIKeyZJIJLKRBZAQWSS-UHFFFAOYSA-N
XLogP3.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
4-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 4984782
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 27419877
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020
N-(4-cyano-1,3-benzothiazol-2-yl)benzamide
CID 134128549
4-benzoyl-N-(6-nitroso-1,3-benzothiazol-2-yl)benzamide
CID 143038300
4-cyano-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850455
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)benzamide (CID 25259294) is N-(6-cyano-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(6-cyano-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(6-cyano-1,3-benzothiazol-2-yl)benzamide is N#Cc1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(6-cyano-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZJIJLKRBZAQWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c16-9-10-6-7-12-13(8-10)20-15(17-12)18-14(19)11-4-2-1-3-5-11/h1-8H,(H,17,18,19).
What are the key properties of N-(6-cyano-1,3-benzothiazol-2-yl)benzamide?
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 279.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 25259294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).