N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide

C20H18N2O3S — CID 7153255

IUPACN-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide
SMILESCCOCCn1/c(=N/C(=O)c2ccco2)sc2c3ccccc3ccc21
InChIInChI=1S/C20H18N2O3S/c1-2-24-13-11-22-16-10-9-14-6-3-4-7-15(14)18(16)26-20(22)21-19(23)17-8-5-12-25-17/h3-10,12H,2,11,13H2,1H3/b21-20-
InChIKeyODMFUEWCDFXOFL-MRCUWXFGSA-N
MW366.44 g/mol
LogP4.23
Rot. Bonds5

About N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide

N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide (PubChem CID 7153255) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide
PubChem CID7153255
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide
SMILESCCOCCn1/c(=N/C(=O)c2ccco2)sc2c3ccccc3ccc21
InChIInChI=1S/C20H18N2O3S/c1-2-24-13-11-22-16-10-9-14-6-3-4-7-15(14)18(16)26-20(22)21-19(23)17-8-5-12-25-17/h3-10,12H,2,11,13H2,1H3/b21-20-
InChIKeyODMFUEWCDFXOFL-MRCUWXFGSA-N
XLogP4.23
TPSA56.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.23
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

4-bromo-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939041
4-butoxy-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939080
(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]-4-piperidin-1-ylsulfonylbenzamide
CID 41202574
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide
CID 7152869
2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 41202013
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide
CID 4577895
N,N'-bis[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]nonanediamide
CID 43938997
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 3700696
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 4573875
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 43938665

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide (CID 7153255) is N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide is CCOCCn1/c(=N/C(=O)c2ccco2)sc2c3ccccc3ccc21.
What is the InChIKey of N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is ODMFUEWCDFXOFL-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-2-24-13-11-22-16-10-9-14-6-3-4-7-15(14)18(16)26-20(22)21-19(23)17-8-5-12-25-17/h3-10,12H,2,11,13H2,1H3/b21-20-.
What are the key properties of N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide?
N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 7153255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).