N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide

C16H16N2OS — CID 2340220

IUPACN-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C16H16N2OS/c1-16(2,3)14(19)18-15-17-13-11-7-5-4-6-10(11)8-9-12(13)20-15/h4-9H,1-3H3,(H,17,18,19)
InChIKeyQEHYWLKJIQVQLT-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.43
Rot. Bonds1

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

N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide (PubChem CID 2340220) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
PubChem CID2340220
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C16H16N2OS/c1-16(2,3)14(19)18-15-17-13-11-7-5-4-6-10(11)8-9-12(13)20-15/h4-9H,1-3H3,(H,17,18,19)
InChIKeyQEHYWLKJIQVQLT-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-benzylideneamino]urea
CID 25197655
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide
CID 17430695
N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
CID 16616263
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide
CID 7916610
1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135926159
1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-1-(4-methylphenyl)ethylideneamino]urea
CID 25197931
N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8781141
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide (CID 2340220) is N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide?
The InChIKey is QEHYWLKJIQVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-16(2,3)14(19)18-15-17-13-11-7-5-4-6-10(11)8-9-12(13)20-15/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide?
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 4.43, 1 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-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 2340220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).