N-(4-cyano-1,3-benzothiazol-2-yl)benzamide

C15H9N3OS — CID 134128549

IUPACN-(4-cyano-1,3-benzothiazol-2-yl)benzamide
SMILESN#Cc1cccc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C15H9N3OS/c16-9-11-7-4-8-12-13(11)17-15(20-12)18-14(19)10-5-2-1-3-6-10/h1-8H,(H,17,18,19)
InChIKeyZDHQFJZACAXSLZ-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.42
Rot. Bonds2

About N-(4-cyano-1,3-benzothiazol-2-yl)benzamide

N-(4-cyano-1,3-benzothiazol-2-yl)benzamide (PubChem CID 134128549) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(4-cyano-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-benzothiazol-2-yl)benzamide
PubChem CID134128549
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC NameN-(4-cyano-1,3-benzothiazol-2-yl)benzamide
SMILESN#Cc1cccc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C15H9N3OS/c16-9-11-7-4-8-12-13(11)17-15(20-12)18-14(19)10-5-2-1-3-6-10/h1-8H,(H,17,18,19)
InChIKeyZDHQFJZACAXSLZ-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-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;N-[(2-methylphenyl)carbamothioyl]benzamide
CID 159176709
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(4-cyano-1,3-benzothiazol-2-yl)benzamide (CID 134128549) is N-(4-cyano-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-cyano-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(4-cyano-1,3-benzothiazol-2-yl)benzamide is N#Cc1cccc2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-(4-cyano-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZDHQFJZACAXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c16-9-11-7-4-8-12-13(11)17-15(20-12)18-14(19)10-5-2-1-3-6-10/h1-8H,(H,17,18,19).
What are the key properties of N-(4-cyano-1,3-benzothiazol-2-yl)benzamide?
N-(4-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-(4-cyano-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 134128549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).