2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

C20H22N2O2S — CID 16912970

IUPAC2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(C)cc1CC(=O)/N=c1\sc2c(C)cc(C)cc2n1C
InChIInChI=1S/C20H22N2O2S/c1-12-6-7-17(24-5)15(9-12)11-18(23)21-20-22(4)16-10-13(2)8-14(3)19(16)25-20/h6-10H,11H2,1-5H3/b21-20-
InChIKeyOYKHZFNFFOVFLP-MRCUWXFGSA-N
MW354.48 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 16912970) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID16912970
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(C)cc1CC(=O)/N=c1\sc2c(C)cc(C)cc2n1C
InChIInChI=1S/C20H22N2O2S/c1-12-6-7-17(24-5)15(9-12)11-18(23)21-20-22(4)16-10-13(2)8-14(3)19(16)25-20/h6-10H,11H2,1-5H3/b21-20-
InChIKeyOYKHZFNFFOVFLP-MRCUWXFGSA-N
XLogP3.84
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethylphenyl)acetamide
CID 40697863
N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152654
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 16848296
2-(4-methylsulfanylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126426
2-(2,4-dimethylphenyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524680
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
2-(4-ethylsulfonylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41126899
ethyl 2-[4,7-dimethoxy-2-[2-(2-methoxy-5-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16912975
3-(4-methoxyphenyl)sulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41324106
2-(4-fluorophenyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 40697900

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 16912970) is 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is COc1ccc(C)cc1CC(=O)/N=c1\sc2c(C)cc(C)cc2n1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is OYKHZFNFFOVFLP-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12-6-7-17(24-5)15(9-12)11-18(23)21-20-22(4)16-10-13(2)8-14(3)19(16)25-20/h6-10H,11H2,1-5H3/b21-20-.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 354.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 16912970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).