2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

C22H20N2O2S — CID 16848262

IUPAC2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3c4ccccc4ccc3n2C)cc1C
InChIInChI=1S/C22H20N2O2S/c1-14-12-15(8-11-19(14)26-3)13-20(25)23-22-24(2)18-10-9-16-6-4-5-7-17(16)21(18)27-22/h4-12H,13H2,1-3H3/b23-22-
InChIKeyWAVPVUOTWCILMD-FCQUAONHSA-N
MW376.48 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 16848262) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID16848262
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3c4ccccc4ccc3n2C)cc1C
InChIInChI=1S/C22H20N2O2S/c1-14-12-15(8-11-19(14)26-3)13-20(25)23-22-24(2)18-10-9-16-6-4-5-7-17(16)21(18)27-22/h4-12H,13H2,1-3H3/b23-22-
InChIKeyWAVPVUOTWCILMD-FCQUAONHSA-N
XLogP4.38
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)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

2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
methyl 2-[4,7-dimethoxy-2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848295
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848341
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 16848296
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912421
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
CID 16849298
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (CID 16848262) is 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is COc1ccc(CC(=O)/N=c2\sc3c4ccccc4ccc3n2C)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is WAVPVUOTWCILMD-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-14-12-15(8-11-19(14)26-3)13-20(25)23-22-24(2)18-10-9-16-6-4-5-7-17(16)21(18)27-22/h4-12H,13H2,1-3H3/b23-22-.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 376.48 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 16848262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).