N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide

C19H20N2O4S — CID 7153193

IUPACN-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21
InChIInChI=1S/C19H20N2O4S/c1-23-12-11-21-18-15(24-2)9-6-10-16(18)26-19(21)20-17(22)13-25-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3/b20-19-
InChIKeySEUOQVHVLFPYOI-VXPUYCOJSA-N
MW372.45 g/mol
LogP2.86
Rot. Bonds7

About N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide

N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide (PubChem CID 7153193) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
PubChem CID7153193
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21
InChIInChI=1S/C19H20N2O4S/c1-23-12-11-21-18-15(24-2)9-6-10-16(18)26-19(21)20-17(22)13-25-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3/b20-19-
InChIKeySEUOQVHVLFPYOI-VXPUYCOJSA-N
XLogP2.86
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
CID 40888522
2,6-dimethoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7153141
3-methoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7152892
N-[3-(2-ethoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153408
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 4650559
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 40888297
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 7152857
ethyl 2-[4-methoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 7153478
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 40886407
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 40509046
2-(benzenesulfonyl)-N-(4-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7541367

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide (CID 7153193) is N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide is COCCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
The InChIKey is SEUOQVHVLFPYOI-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-23-12-11-21-18-15(24-2)9-6-10-16(18)26-19(21)20-17(22)13-25-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3/b20-19-.
What are the key properties of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide?
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide is sourced from PubChem (CID 7153193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).