N-benzo[e][1,3]benzothiazol-2-ylbenzamide

C18H12N2OS — CID 2120985

IUPACN-benzo[e][1,3]benzothiazol-2-ylbenzamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-17(13-7-2-1-3-8-13)20-18-19-16-14-9-5-4-6-12(14)10-11-15(16)22-18/h1-11H,(H,19,20,21)
InChIKeyABQOHOQPYICIFK-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.70
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-ylbenzamide

N-benzo[e][1,3]benzothiazol-2-ylbenzamide (PubChem CID 2120985) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-ylbenzamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-ylbenzamide
PubChem CID2120985
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC NameN-benzo[e][1,3]benzothiazol-2-ylbenzamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-17(13-7-2-1-3-8-13)20-18-19-16-14-9-5-4-6-12(14)10-11-15(16)22-18/h1-11H,(H,19,20,21)
InChIKeyABQOHOQPYICIFK-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-4-(methylsulfonylmethyl)benzamide
CID 8781134
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
CID 16616263
1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-benzylideneamino]urea
CID 25197655
3-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
CID 7202553
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
N-(4-cyano-1,3-benzothiazol-2-yl)benzamide
CID 134128549

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylbenzamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylbenzamide (CID 2120985) is N-benzo[e][1,3]benzothiazol-2-ylbenzamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-ylbenzamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-ylbenzamide is O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-ylbenzamide?
The InChIKey is ABQOHOQPYICIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17(13-7-2-1-3-8-13)20-18-19-16-14-9-5-4-6-12(14)10-11-15(16)22-18/h1-11H,(H,19,20,21).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-ylbenzamide?
N-benzo[e][1,3]benzothiazol-2-ylbenzamide has a molecular weight of 304.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-ylbenzamide is sourced from PubChem (CID 2120985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).