2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide

C20H22N2O4S — CID 16912578

IUPAC2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(OC)cc2OC)sc2cccc(OC)c21
InChIInChI=1S/C20H22N2O4S/c1-5-22-19-15(25-3)7-6-8-17(19)27-20(22)21-18(23)11-13-9-10-14(24-2)12-16(13)26-4/h6-10,12H,5,11H2,1-4H3/b21-20-
InChIKeyMDGKZIJZJBRADM-MRCUWXFGSA-N
MW386.47 g/mol
LogP3.42
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide

2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 16912578) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID16912578
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(OC)cc2OC)sc2cccc(OC)c21
InChIInChI=1S/C20H22N2O4S/c1-5-22-19-15(25-3)7-6-8-17(19)27-20(22)21-18(23)11-13-9-10-14(24-2)12-16(13)26-4/h6-10,12H,5,11H2,1-4H3/b21-20-
InChIKeyMDGKZIJZJBRADM-MRCUWXFGSA-N
XLogP3.42
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848266
2-(2,4-dimethoxyphenyl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912575
2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524668
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethoxyphenyl)acetamide
CID 16912602
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799560
2-(2,4-dimethoxyphenyl)-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912733
(NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937383
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 4990819
N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethoxyphenyl)acetamide
CID 16912623
2-(2,4-dimethoxyphenyl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912676
N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethoxyphenyl)acetamide
CID 16912636
N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
CID 7161781

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide (CID 16912578) is 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)Cc2ccc(OC)cc2OC)sc2cccc(OC)c21.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is MDGKZIJZJBRADM-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-5-22-19-15(25-3)7-6-8-17(19)27-20(22)21-18(23)11-13-9-10-14(24-2)12-16(13)26-4/h6-10,12H,5,11H2,1-4H3/b21-20-.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 16912578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).