N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide

C15H16N2O2S — CID 769130

IUPACN-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1cc2c(cc1C)-c1nc(NC(C)=O)sc1CC2
InChIInChI=1S/C15H16N2O2S/c1-8-6-11-10(7-12(8)19-3)4-5-13-14(11)17-15(20-13)16-9(2)18/h6-7H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyZPOGJDKMTUERSG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.18
Rot. Bonds2

About N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide

N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (PubChem CID 769130) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
PubChem CID769130
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1cc2c(cc1C)-c1nc(NC(C)=O)sc1CC2
InChIInChI=1S/C15H16N2O2S/c1-8-6-11-10(7-12(8)19-3)4-5-13-14(11)17-15(20-13)16-9(2)18/h6-7H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyZPOGJDKMTUERSG-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide 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

4-chloro-N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 126058168
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylbenzamide
CID 4107573
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848146
4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 82342336
2-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 1209992
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
CID 2727896
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitrobenzamide
CID 126058605
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 39177725
(2S)-2-(2,4-dimethylphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
CID 51584978
2-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide
CID 126065626

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (CID 769130) is N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is COc1cc2c(cc1C)-c1nc(NC(C)=O)sc1CC2.
What is the InChIKey of N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is ZPOGJDKMTUERSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-8-6-11-10(7-12(8)19-3)4-5-13-14(11)17-15(20-13)16-9(2)18/h6-7H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 769130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).