N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide

C20H21FN2O3S — CID 16912464

IUPACN-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
SMILESCCOCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2cccc(F)c21
InChIInChI=1S/C20H21FN2O3S/c1-3-26-11-10-23-19-16(21)8-5-9-17(19)27-20(23)22-18(24)13-14-6-4-7-15(12-14)25-2/h4-9,12H,3,10-11,13H2,1-2H3/b22-20-
InChIKeyOPRXIXMZJVUNPZ-XDOYNYLZSA-N
MW388.46 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide

N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide (PubChem CID 16912464) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
PubChem CID16912464
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
SMILESCCOCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2cccc(F)c21
InChIInChI=1S/C20H21FN2O3S/c1-3-26-11-10-23-19-16(21)8-5-9-17(19)27-20(23)22-18(24)13-14-6-4-7-15(12-14)25-2/h4-9,12H,3,10-11,13H2,1-2H3/b22-20-
InChIKeyOPRXIXMZJVUNPZ-XDOYNYLZSA-N
XLogP3.56
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.56
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-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
CID 16912465
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(2,4,6-trimethylphenyl)acetamide
CID 41343045
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide
CID 43937621
2-(3,4-dimethoxyphenyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912828
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide
CID 43937525
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912526
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 41149476
2-(4-chlorophenyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]acetamide
CID 16912309
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide
CID 4640222
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide
CID 5055627
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525090
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700323

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide (CID 16912464) is N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide is CCOCCn1/c(=N/C(=O)Cc2cccc(OC)c2)sc2cccc(F)c21.
What is the InChIKey of N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?
The InChIKey is OPRXIXMZJVUNPZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-3-26-11-10-23-19-16(21)8-5-9-17(19)27-20(23)22-18(24)13-14-6-4-7-15(12-14)25-2/h4-9,12H,3,10-11,13H2,1-2H3/b22-20-.
What are the key properties of N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide?
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 3.56, 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-fluoro-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16912464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).