N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide

C20H22N2O3S — CID 7153408

IUPACN-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
SMILESCCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(C)c21
InChIInChI=1S/C20H22N2O3S/c1-3-24-13-12-22-19-15(2)8-7-11-17(19)26-20(22)21-18(23)14-25-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3/b21-20-
InChIKeyWVGAXHYWAQTVER-MRCUWXFGSA-N
MW370.47 g/mol
LogP3.55
Rot. Bonds7

About N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide

N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide (PubChem CID 7153408) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
PubChem CID7153408
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
SMILESCCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(C)c21
InChIInChI=1S/C20H22N2O3S/c1-3-24-13-12-22-19-15(2)8-7-11-17(19)26-20(22)21-18(23)14-25-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3/b21-20-
InChIKeyWVGAXHYWAQTVER-MRCUWXFGSA-N
XLogP3.55
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153193
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 40509046
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenoxy)acetamide
CID 43937490
5-chloro-N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide
CID 41202731
N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 7153310
ethyl 2-[4-fluoro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4108067
2-(4-chlorophenoxy)-N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 41202828
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
2-(2,4-dichlorophenoxy)-N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 41202935
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 7152857
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide (CID 7153408) is N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide is CCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(C)c21.
What is the InChIKey of N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The InChIKey is WVGAXHYWAQTVER-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-24-13-12-22-19-15(2)8-7-11-17(19)26-20(22)21-18(23)14-25-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3/b21-20-.
What are the key properties of N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide is sourced from PubChem (CID 7153408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).