N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide

C16H16N2O2S — CID 7152869

IUPACN-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2c3ccccc3ccc21
InChIInChI=1S/C16H16N2O2S/c1-11(19)17-16-18(9-10-20-2)14-8-7-12-5-3-4-6-13(12)15(14)21-16/h3-8H,9-10H2,1-2H3/b17-16-
InChIKeyFITRLAXJSXHBAD-MSUUIHNZSA-N
MW300.38 g/mol
LogP2.95
Rot. Bonds3

About N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide

N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide (PubChem CID 7152869) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide
PubChem CID7152869
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2c3ccccc3ccc21
InChIInChI=1S/C16H16N2O2S/c1-11(19)17-16-18(9-10-20-2)14-8-7-12-5-3-4-6-13(12)15(14)21-16/h3-8H,9-10H2,1-2H3/b17-16-
InChIKeyFITRLAXJSXHBAD-MSUUIHNZSA-N
XLogP2.95
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]nonanediamide
CID 43938997
2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 41202013
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 43938665
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 43938845
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 94864901
4-bromo-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939041
(E)-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3-thiophen-2-ylprop-2-enamide
CID 41202896
N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide
CID 7153255
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
4-butoxy-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939080
N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-4-piperidin-1-ylsulfonylbenzamide
CID 41202574

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide (CID 7152869) is N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(C)=O)sc2c3ccccc3ccc21.
What is the InChIKey of N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide?
The InChIKey is FITRLAXJSXHBAD-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(19)17-16-18(9-10-20-2)14-8-7-12-5-3-4-6-13(12)15(14)21-16/h3-8H,9-10H2,1-2H3/b17-16-.
What are the key properties of N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide?
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide has a molecular weight of 300.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 7152869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).